5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid

C17H12ClN5O2 — CID 168967741

IUPAC5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cn2c(Nc3ccnc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C17H12ClN5O2/c1-9-8-23-15(20-9)12-3-2-10(16(24)25)6-13(12)22-17(23)21-11-4-5-19-14(18)7-11/h2-8H,1H3,(H,24,25)(H,19,21,22)
InChIKeyAXQXJMBJBQPSEG-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.68
Rot. Bonds3

About 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid

5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967741) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967741
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCc1cn2c(Nc3ccnc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C17H12ClN5O2/c1-9-8-23-15(20-9)12-3-2-10(16(24)25)6-13(12)22-17(23)21-11-4-5-19-14(18)7-11/h2-8H,1H3,(H,24,25)(H,19,21,22)
InChIKeyAXQXJMBJBQPSEG-UHFFFAOYSA-N
XLogP3.68
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967624
methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
CID 168967600
methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
CID 168967689
2,5-dimethylimidazo[1,2-a]quinoline-8-carboxylic acid
CID 115043601
2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
CID 158279059
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
4-(3-chloroanilino)-3-methyl-[1,2]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 168967659
4-[4-(dimethylamino)anilino]-2-methylquinoline-7-carboxylic acid
CID 7138098
1-anilinoisoquinoline-6-carboxylic acid
CID 82571407
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967741) is 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is Cc1cn2c(Nc3ccnc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is AXQXJMBJBQPSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c1-9-8-23-15(20-9)12-3-2-10(16(24)25)6-13(12)22-17(23)21-11-4-5-19-14(18)7-11/h2-8H,1H3,(H,24,25)(H,19,21,22).
What are the key properties of 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).