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

C18H13ClN4O2 — CID 168967592

IUPAC5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cnc2c3ccc(C(=O)O)cc3nc(Nc3cccc(Cl)c3)n12
InChIInChI=1S/C18H13ClN4O2/c1-10-9-20-16-14-6-5-11(17(24)25)7-15(14)22-18(23(10)16)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,22)(H,24,25)
InChIKeyYFGQSGPPMGQBEU-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.29
Rot. Bonds3

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

5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967592) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967592
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cnc2c3ccc(C(=O)O)cc3nc(Nc3cccc(Cl)c3)n12
InChIInChI=1S/C18H13ClN4O2/c1-10-9-20-16-14-6-5-11(17(24)25)7-15(14)22-18(23(10)16)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,22)(H,24,25)
InChIKeyYFGQSGPPMGQBEU-UHFFFAOYSA-N
XLogP4.29
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967592) is 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is Cc1cnc2c3ccc(C(=O)O)cc3nc(Nc3cccc(Cl)c3)n12.
What is the InChIKey of 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is YFGQSGPPMGQBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-10-9-20-16-14-6-5-11(17(24)25)7-15(14)22-18(23(10)16)21-13-4-2-3-12(19)8-13/h2-9H,1H3,(H,21,22)(H,24,25).
What are the key properties of 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 352.78 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-3-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).