4-(4-Morpholinyl)-2,3-pentamethylenequinoline

HCID 22099

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Basic information

CAS: 5839-57-6
Standard SMILES: c1ccc2c(N3CCOCC3)c3c(nc2c1)CCCCC3
InChIKey: BYLRUJWQQHVPTM-UHFFFAOYSA-N
Molecular formula: C18H22N2O
Average molar mass: 282.4 g/mol
Monoisotopic mass: 282.17321333

Overview

RN given refers to parent cpd; structure given in first source

Names & identifiers

Preferred name: 4-(4-Morpholinyl)-2,3-pentamethylenequinoline
IUPAC: 4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)morpholine
English name: 4-(4-morpholinyl)-2,3-pentamethylenequinoline
Molecular formula: C18H22N2O
Molecular weight: 282.38

Names & synonyms

4-(4-Morpholinyl)-2,3-pentamethylenequinoline5839-57-6DTXSID902071026H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(4-morpholinyl)-, monohydrochlorideRefChem:97264DTXCID50129593BRN 11364606H-Cyclohepta(b)quinoline, 11-morpholino-7,8,9,10-tetrahydro-6H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-MORPHOLINO-11-(Morpholin-4-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline7,8,9,10-Tetrahydro-11-morpholino-6H-cyclohepta[b]quinoline6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-(4-morpholinyl)-

Database identifiers

CAS: 5839-57-6
PubChem CID: 22099
DTXSID: DTXSID90207102
Nikkaji: J48.548I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 25.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 342

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