6,9-Dihydro-10-methoxybenzo(h)pyrimido(4,5-b)quinolin-8(5H)-one

HCID 135407331

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Basic information

CAS: 351002-43-2
Standard SMILES: COc1nc2nc3c(cc2c(=O)[nH]1)CCc1ccccc1-3
InChIKey: OEYTTZOELFZNIT-UHFFFAOYSA-N
Molecular formula: C16H13N3O2
Average molar mass: 279.29 g/mol
Monoisotopic mass: 279.10077667

Names & identifiers

Preferred name: 6,9-Dihydro-10-methoxybenzo(h)pyrimido(4,5-b)quinolin-8(5H)-one
IUPAC: 15-methoxy-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one

Names & synonyms

6,9-Dihydro-10-methoxybenzo[h]pyrimido[4,5-b]quinolin-8(5H)-one351002-43-26,9-Dihydro-10-methoxybenzo(h)pyrimido(4,5-b)quinolin-8(5H)-oneRefChem:306379DTXSID80117443010-Methoxy-6,12-dihydrobenzo[h]pyrimido[4,5-b]quinolin-8(5H)-one

Database identifiers

CAS: 351002-43-2
PubChem CID: 135407331
DTXSID: DTXSID801174430
Nikkaji: J1.509.153C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 464

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