5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid

C17H11ClN4O2 — CID 168967602

IUPAC5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1ccnc21
InChIInChI=1S/C17H11ClN4O2/c18-11-2-1-3-12(9-11)20-17-21-14-8-10(16(23)24)4-5-13(14)15-19-6-7-22(15)17/h1-9H,(H,20,21)(H,23,24)
InChIKeyYHJKUMAHYAYUBJ-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.98
Rot. Bonds3

About 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid

5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967602) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967602
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1ccnc21
InChIInChI=1S/C17H11ClN4O2/c18-11-2-1-3-12(9-11)20-17-21-14-8-10(16(23)24)4-5-13(14)15-19-6-7-22(15)17/h1-9H,(H,20,21)(H,23,24)
InChIKeyYHJKUMAHYAYUBJ-UHFFFAOYSA-N
XLogP3.98
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967602) is 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1ccnc21.
What is the InChIKey of 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is YHJKUMAHYAYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-11-2-1-3-12(9-11)20-17-21-14-8-10(16(23)24)4-5-13(14)15-19-6-7-22(15)17/h1-9H,(H,20,21)(H,23,24).
What are the key properties of 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 338.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)imidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).