3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one

C16H13ClN2O2 — CID 914427

IUPAC3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one
SMILESC=C1c2cc(OC)ccc2NC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-14-9-13(21-2)6-7-15(14)18-16(20)19(10)12-5-3-4-11(17)8-12/h3-9H,1H2,2H3,(H,18,20)
InChIKeyMVWVCEDLVZHVGK-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.37
Rot. Bonds2

About 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one

3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one (PubChem CID 914427) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one
PubChem CID914427
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one
SMILESC=C1c2cc(OC)ccc2NC(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10-14-9-13(21-2)6-7-15(14)18-16(20)19(10)12-5-3-4-11(17)8-12/h3-9H,1H2,2H3,(H,18,20)
InChIKeyMVWVCEDLVZHVGK-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
3-(3-chlorophenyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 3553310
7-methyl-4-methylidene-3-phenyl-1H-quinazolin-2-one
CID 876691
(5Z)-3-(3-chlorophenyl)-5-[1-(3-methoxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 18840482
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
CID 1185307
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319
6-(1-methoxyethenyl)-3-[(4-methoxyphenyl)methyl]-4-methylidene-1H-quinazolin-2-one
CID 142161622
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one (CID 914427) is 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one is C=C1c2cc(OC)ccc2NC(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one?
The InChIKey is MVWVCEDLVZHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-14-9-13(21-2)6-7-15(14)18-16(20)19(10)12-5-3-4-11(17)8-12/h3-9H,1H2,2H3,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one?
3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one has a molecular weight of 300.75 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-methoxy-4-methylidene-1H-quinazolin-2-one is sourced from PubChem (CID 914427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).