2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid

C16H13N3O3 — CID 849797

IUPAC2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
SMILESCc1nc2ccccc2c(=O)n1Nc1ccccc1C(=O)O
InChIInChI=1S/C16H13N3O3/c1-10-17-13-8-4-2-6-11(13)15(20)19(10)18-14-9-5-3-7-12(14)16(21)22/h2-9,18H,1H3,(H,21,22)
InChIKeyRDMLWSNEZSRARI-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.28
Rot. Bonds3

About 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid

2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid (PubChem CID 849797) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
PubChem CID849797
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
SMILESCc1nc2ccccc2c(=O)n1Nc1ccccc1C(=O)O
InChIInChI=1S/C16H13N3O3/c1-10-17-13-8-4-2-6-11(13)15(20)19(10)18-14-9-5-3-7-12(14)16(21)22/h2-9,18H,1H3,(H,21,22)
InChIKeyRDMLWSNEZSRARI-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid?
The IUPAC name of 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid (CID 849797) is 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid is Cc1nc2ccccc2c(=O)n1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid?
The InChIKey is RDMLWSNEZSRARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-17-13-8-4-2-6-11(13)15(20)19(10)18-14-9-5-3-7-12(14)16(21)22/h2-9,18H,1H3,(H,21,22).
What are the key properties of 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid?
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid is sourced from PubChem (CID 849797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).