5,6-Dihydro-8-methoxybenzo(f)quinazoline-1,3-diamine

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Basic information

CAS: 37436-50-3
Standard SMILES: COc1ccc2c(c1)CCc1nc(N)nc(N)c1-2
InChIKey: PTYPACYJLPCXBJ-UHFFFAOYSA-N
Molecular formula: C13H14N4O
Average molar mass: 242.28 g/mol
Monoisotopic mass: 242.11676108

Names & identifiers

Preferred name: 5,6-Dihydro-8-methoxybenzo(f)quinazoline-1,3-diamine
IUPAC: 8-methoxy-5,6-dihydrobenzo[f]quinazoline-1,3-diamine

Names & synonyms

37436-50-3WIJ3M19HZCUNII-WIJ3M19HZCBenzo(f)quinazoline, 1,3-diamino-5,6-dihydro-8-methoxy-Benzo(f)quinazoline-1,3-diamine, 5,6-dihydro-8-methoxy-NSC 137187NSC-1371875,6-Dihydro-8-methoxybenzo(f)quinazoline-1,3-diamineDTXSID70190886Benzo[f]quinazoline, 1,3-diamino-5,6-dihydro-8-methoxy-Benzo[f]quinazoline-1,3-diamine, 5,6-dihydro-8-methoxy-RefChem:198818

Show more names

DTXCID101133778-Methoxy-5,6-dihydrobenzo[f]quinazoline-1,3-diamineNSC137187PTYPACYJLPCXBJ-UHFFFAOYSA-NDS-0103441,3-Diamino-5,6-dihydro-8-methoxybenzo[f]quinazoline8-Methoxy-5,6-dihydrobenzo[f]quinazoline-1,3-diamine #

Database identifiers

CAS: 37436-50-3
PubChem CID: 283013
DTXSID: DTXSID70190886
UNII: WIJ3M19HZC
Nikkaji: J419.858A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 301

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Compound notes

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