7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid

C19H15N5O2S — CID 155151820

IUPAC7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid
SMILESC=C(/C=C\c1nc(N)sc1C)c1cc(C(=O)O)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C19H15N5O2S/c1-9(3-4-13-10(2)27-19(20)23-13)16-7-11(18(25)26)17-12-8-21-24-14(12)5-6-15(17)22-16/h3-8H,1H2,2H3,(H2,20,23)(H,21,24)(H,25,26)/b4-3-
InChIKeyOOEVVRIASIMYMX-ARJAWSKDSA-N
MW377.43 g/mol
LogP3.88
Rot. Bonds4

About 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid

7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid (PubChem CID 155151820) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid
PubChem CID155151820
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid
SMILESC=C(/C=C\c1nc(N)sc1C)c1cc(C(=O)O)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C19H15N5O2S/c1-9(3-4-13-10(2)27-19(20)23-13)16-7-11(18(25)26)17-12-8-21-24-14(12)5-6-15(17)22-16/h3-8H,1H2,2H3,(H2,20,23)(H,21,24)(H,25,26)/b4-3-
InChIKeyOOEVVRIASIMYMX-ARJAWSKDSA-N
XLogP3.88
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid with MolForge

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Related Compounds

6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine
CID 171714525
ethyl (2Z)-2-(1-fluoroethenyl)-4-[[2-methyl-1-oxo-1-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-ylamino)propan-2-yl]amino]penta-2,4-dienoate
CID 143601198
4-[(1Z)-3-(5-ethoxy-6-fluoro-1H-indazol-4-yl)buta-1,3-dienyl]-N,5-dimethyl-1,3-thiazol-2-amine
CID 167002567
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
6-fluoro-1H-indazole-4-carboxylic acid
CID 24728354
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
CID 45083446
4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazole-5-carboxamide
CID 155151663
2-amino-N-(1H-indazol-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115347
3-(6-methyl-1H-indazol-5-yl)prop-2-enamide
CID 169481932
4-amino-N-(1H-indazol-5-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154797454
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351
1H-indazol-4-amine;2-methylpropanoic acid
CID 159051220

Frequently Asked Questions

What is the IUPAC name of 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid?
The IUPAC name of 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid (CID 155151820) is 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid?
The canonical SMILES for 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid is C=C(/C=C\c1nc(N)sc1C)c1cc(C(=O)O)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid?
The InChIKey is OOEVVRIASIMYMX-ARJAWSKDSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-9(3-4-13-10(2)27-19(20)23-13)16-7-11(18(25)26)17-12-8-21-24-14(12)5-6-15(17)22-16/h3-8H,1H2,2H3,(H2,20,23)(H,21,24)(H,25,26)/b4-3-.
What are the key properties of 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid?
7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid has a molecular weight of 377.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid is sourced from PubChem (CID 155151820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).