7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one

C12H10N2O2 — CID 131859506

IUPAC7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc2nc3n(c(=O)c2c1)CC=C3
InChIInChI=1S/C12H10N2O2/c1-16-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h2-5,7H,6H2,1H3
InChIKeyMSYNQKFLXAKCLD-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.43
Rot. Bonds1

About 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one

7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 131859506) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID131859506
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc2nc3n(c(=O)c2c1)CC=C3
InChIInChI=1S/C12H10N2O2/c1-16-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h2-5,7H,6H2,1H3
InChIKeyMSYNQKFLXAKCLD-UHFFFAOYSA-N
XLogP1.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23872051
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
CID 122431840
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
CID 21004566
14-methoxy-8-phenyl-3,9,10,18-tetrazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),4,6,8,12(17),13,15-heptaen-11-one
CID 132966245
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112219
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 131859506) is 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one is COc1ccc2nc3n(c(=O)c2c1)CC=C3.
What is the InChIKey of 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is MSYNQKFLXAKCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-8-4-5-10-9(7-8)12(15)14-6-2-3-11(14)13-10/h2-5,7H,6H2,1H3.
What are the key properties of 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one?
7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 214.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 131859506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).