7-chloro-6-methoxy-4aH-quinazolin-4-one

C9H7ClN2O2 — CID 156592364

IUPAC7-chloro-6-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2C(=O)N=CN=C2C=C1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-5H,1H3
InChIKeyLRGOMESKHKCGHL-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.28
Rot. Bonds1

About 7-chloro-6-methoxy-4aH-quinazolin-4-one

7-chloro-6-methoxy-4aH-quinazolin-4-one (PubChem CID 156592364) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 7-chloro-6-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-6-methoxy-4aH-quinazolin-4-one
PubChem CID156592364
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name7-chloro-6-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2C(=O)N=CN=C2C=C1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-5H,1H3
InChIKeyLRGOMESKHKCGHL-UHFFFAOYSA-N
XLogP1.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
5,7-dimethoxy-4aH-quinazolin-4-one
CID 73158327
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-4aH-quinazolin-4-one
CID 73860538

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 7-chloro-6-methoxy-4aH-quinazolin-4-one (CID 156592364) is 7-chloro-6-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 7-chloro-6-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 7-chloro-6-methoxy-4aH-quinazolin-4-one is COC1=CC2C(=O)N=CN=C2C=C1Cl.
What is the InChIKey of 7-chloro-6-methoxy-4aH-quinazolin-4-one?
The InChIKey is LRGOMESKHKCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-5H,1H3.
What are the key properties of 7-chloro-6-methoxy-4aH-quinazolin-4-one?
7-chloro-6-methoxy-4aH-quinazolin-4-one has a molecular weight of 210.62 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 156592364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).