1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid

C17H12Cl2N2O3 — CID 22387822

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
SMILESCc1nc(=O)c2ccc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-9-20-16(22)13-5-3-10(17(23)24)6-15(13)21(9)8-11-2-4-12(18)7-14(11)19/h2-7H,8H2,1H3,(H,23,24)
InChIKeyCILCIWFBDHFINC-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.76
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid (PubChem CID 22387822) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
PubChem CID22387822
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
SMILESCc1nc(=O)c2ccc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-9-20-16(22)13-5-3-10(17(23)24)6-15(13)21(9)8-11-2-4-12(18)7-14(11)19/h2-7H,8H2,1H3,(H,23,24)
InChIKeyCILCIWFBDHFINC-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 22387929
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18681118
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
2-acetyl-1-[(2-chlorophenyl)methyl]-3-methylindole-6-carboxylic acid
CID 22627306
6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
CID 10979548
3-[(2,4-dichlorophenyl)methyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748058
N-(butylsulfamoyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18467562
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 174361162
1-[(2,4-dichlorophenyl)methyl]-6-[3-hydroxypentyl(sulfinato)carbamoyl]-2-methylbenzimidazole
CID 174361471
3-[(2,4-dichlorophenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 18467551

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid (CID 22387822) is 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid is Cc1nc(=O)c2ccc(C(=O)O)cc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The InChIKey is CILCIWFBDHFINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-9-20-16(22)13-5-3-10(17(23)24)6-15(13)21(9)8-11-2-4-12(18)7-14(11)19/h2-7H,8H2,1H3,(H,23,24).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid has a molecular weight of 363.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid is sourced from PubChem (CID 22387822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).