6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one

C18H15ClN2O5 — CID 164610190

IUPAC6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
SMILESCOc1cc(C(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H15ClN2O5/c1-24-13-6-9(7-14(25-2)16(13)26-3)15(22)17-20-12-5-4-10(19)8-11(12)18(23)21-17/h4-8H,1-3H3,(H,20,21,23)
InChIKeyMJVGQEWWODPXCZ-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.83
Rot. Bonds5

About 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one

6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one (PubChem CID 164610190) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
PubChem CID164610190
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
SMILESCOc1cc(C(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H15ClN2O5/c1-24-13-6-9(7-14(25-2)16(13)26-3)15(22)17-20-12-5-4-10(19)8-11(12)18(23)21-17/h4-8H,1-3H3,(H,20,21,23)
InChIKeyMJVGQEWWODPXCZ-UHFFFAOYSA-N
XLogP2.83
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
(E)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 135782646
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854648
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
6-chloro-2-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one (CID 164610190) is 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one is COc1cc(C(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one?
The InChIKey is MJVGQEWWODPXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-24-13-6-9(7-14(25-2)16(13)26-3)15(22)17-20-12-5-4-10(19)8-11(12)18(23)21-17/h4-8H,1-3H3,(H,20,21,23).
What are the key properties of 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one?
6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one has a molecular weight of 374.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one is sourced from PubChem (CID 164610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).