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2-Chloro-4-(4-methyl-[1,4]-diazepan-1-yl)quinazoline

HCID 57970197
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCCN(c2nc(Cl)nc3ccccc23)CC1
InChIKey
UZPPDQCCERNBBE-UHFFFAOYSA-N
Molecular formula
C14H17ClN4
Average molar mass
276.76 g/mol
Monoisotopic mass
276.1141743

Names & identifiers

Preferred name
2-Chloro-4-(4-methyl-[1,4]-diazepan-1-yl)quinazoline
IUPAC
2-chloro-4-(4-methyl-1,4-diazepan-1-yl)quinazoline

Names & synonyms

SCHEMBL2536412UZPPDQCCERNBBE-UHFFFAOYSA-NAKOS0117651112-chloro-4-(4-methyl-[1,4]-diazepan-1-yl)quinazoline

Database identifiers

PubChem CID
57970197

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
32.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
301

Related reactions

2 records
New reaction record
HRID 1666601 reaction equation
HRID 1666601As reactantuspto-grants-2011_10
HRID 2128534 reaction equation
HRID 2128534As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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