5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid

C16H12Cl2N2O4 — CID 10546907

IUPAC5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid
SMILESCOc1ccc(N2C(=O)c3c(Cl)cc(Cl)cc3NC2C(=O)O)cc1
InChIInChI=1S/C16H12Cl2N2O4/c1-24-10-4-2-9(3-5-10)20-14(16(22)23)19-12-7-8(17)6-11(18)13(12)15(20)21/h2-7,14,19H,1H3,(H,22,23)
InChIKeyNAPJIMYKGIEOLA-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.48
Rot. Bonds3

About 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid

5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid (PubChem CID 10546907) has the molecular formula C16H12Cl2N2O4 and a molecular weight of 367.19 g/mol. Its IUPAC name is 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid
PubChem CID10546907
Molecular FormulaC16H12Cl2N2O4
Molecular Weight367.19 g/mol
Exact Mass366.02
IUPAC Name5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid
SMILESCOc1ccc(N2C(=O)c3c(Cl)cc(Cl)cc3NC2C(=O)O)cc1
InChIInChI=1S/C16H12Cl2N2O4/c1-24-10-4-2-9(3-5-10)20-14(16(22)23)19-12-7-8(17)6-11(18)13(12)15(20)21/h2-7,14,19H,1H3,(H,22,23)
InChIKeyNAPJIMYKGIEOLA-UHFFFAOYSA-N
XLogP3.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-3,4-bis(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 22745097
1-(4-methoxyphenyl)-5-methyl-2-oxopyrrolidine-3-carboxylic acid
CID 140843821
(4E)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606529
(4E)-5-(3-chloro-4-hydroxyphenyl)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108676774
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 1372137
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 6751994
CID 11494152
CID 11494152
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
methyl 2-[(5Z)-5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126057901
(4Z)-5-(3-chloro-4-hydroxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108676797
(2S,3S)-3-(4-chlorophenoxy)-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbonyl chloride
CID 15459112

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid (CID 10546907) is 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid is COc1ccc(N2C(=O)c3c(Cl)cc(Cl)cc3NC2C(=O)O)cc1.
What is the InChIKey of 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid?
The InChIKey is NAPJIMYKGIEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4/c1-24-10-4-2-9(3-5-10)20-14(16(22)23)19-12-7-8(17)6-11(18)13(12)15(20)21/h2-7,14,19H,1H3,(H,22,23).
What are the key properties of 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid?
5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid has a molecular weight of 367.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazoline-2-carboxylic acid is sourced from PubChem (CID 10546907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).