2-(3-chloroanilino)quinazoline-7-carboxylic acid

C15H10ClN3O2 — CID 168967603

IUPAC2-(3-chloroanilino)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cnc(Nc3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H10ClN3O2/c16-11-2-1-3-12(7-11)18-15-17-8-10-5-4-9(14(20)21)6-13(10)19-15/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyXUYLLZYHDWHEQB-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-chloroanilino)quinazoline-7-carboxylic acid

2-(3-chloroanilino)quinazoline-7-carboxylic acid (PubChem CID 168967603) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(3-chloroanilino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)quinazoline-7-carboxylic acid
PubChem CID168967603
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name2-(3-chloroanilino)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cnc(Nc3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H10ClN3O2/c16-11-2-1-3-12(7-11)18-15-17-8-10-5-4-9(14(20)21)6-13(10)19-15/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyXUYLLZYHDWHEQB-UHFFFAOYSA-N
XLogP3.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Silmitasertib
CID 24748573
5-[(4-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CID 50942446
2-Hydroxyethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861586
2-Fluoroethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861591
3-[(6-Methylquinazolin-4-yl)amino]benzoic acid
CID 735129
5-(4-Chlorophenyl)-3-(ethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 56835080
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxylic acid
CID 50941395
5-Anilinobenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942245
5-(3-Chloro-4-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942441
5-(2-Chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942444
5-(3-Chloroanilino)pyrazino[2,3-c]quinoline-8-carboxylic acid
CID 50942730
5-(3-Chloroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 50942731

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)quinazoline-7-carboxylic acid?
The IUPAC name of 2-(3-chloroanilino)quinazoline-7-carboxylic acid (CID 168967603) is 2-(3-chloroanilino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 2-(3-chloroanilino)quinazoline-7-carboxylic acid?
The canonical SMILES for 2-(3-chloroanilino)quinazoline-7-carboxylic acid is O=C(O)c1ccc2cnc(Nc3cccc(Cl)c3)nc2c1.
What is the InChIKey of 2-(3-chloroanilino)quinazoline-7-carboxylic acid?
The InChIKey is XUYLLZYHDWHEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-2-1-3-12(7-11)18-15-17-8-10-5-4-9(14(20)21)6-13(10)19-15/h1-8H,(H,20,21)(H,17,18,19).
What are the key properties of 2-(3-chloroanilino)quinazoline-7-carboxylic acid?
2-(3-chloroanilino)quinazoline-7-carboxylic acid has a molecular weight of 299.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 168967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).