2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride

C17H13ClN4O3S — CID 69366569

IUPAC2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H12N4O3S.ClH/c22-16(23)11-2-1-3-13-12(11)8-21(17(24)19-13)14-9-25-15(20-14)10-4-6-18-7-5-10;/h1-7,9H,8H2,(H,19,24)(H,22,23);1H
InChIKeySFHVDNFQAGEMAI-UHFFFAOYSA-N
MW388.84 g/mol
LogP3.88
Rot. Bonds3

About 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride

2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride (PubChem CID 69366569) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride
PubChem CID69366569
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC Name2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H12N4O3S.ClH/c22-16(23)11-2-1-3-13-12(11)8-21(17(24)19-13)14-9-25-15(20-14)10-4-6-18-7-5-10;/h1-7,9H,8H2,(H,19,24)(H,22,23);1H
InChIKeySFHVDNFQAGEMAI-UHFFFAOYSA-N
XLogP3.88
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-Pyridin-2-yl-thiazol-2-ylamino)-benzoic acid
CID 704421
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 46908050
2-[6-(Ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxylic acid
CID 59208437
2-Oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylic acid
CID 22638539
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 24768280
2-[2-oxo-2-[[4-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-2-pyridinyl]amino]ethyl]benzoic acid
CID 23118387
3-(4-Pyrid-4-ylthiazol-2-ylamino)benzoic acid
CID 2866632
2-[2-Oxo-2-[[4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-2-pyridinyl]amino]ethyl]benzoic acid
CID 44355587
4-Fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid
CID 22019056
3-[4-(Dimethylcarbamoyl)-3-fluorophenyl]-3-[4-[4-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134499676
3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704589
Methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylate
CID 9863970

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride (CID 69366569) is 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2.
What is the InChIKey of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride?
The InChIKey is SFHVDNFQAGEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S.ClH/c22-16(23)11-2-1-3-13-12(11)8-21(17(24)19-13)14-9-25-15(20-14)10-4-6-18-7-5-10;/h1-7,9H,8H2,(H,19,24)(H,22,23);1H.
What are the key properties of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride?
2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride has a molecular weight of 388.84 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazoline-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 69366569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).