2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid

C21H20N4O2 — CID 141344445

IUPAC2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H20N4O2/c1-12(2)25(3)19-10-15-9-14(21(26)27)5-6-17(15)23-20(19)13-4-7-18-16(8-13)11-22-24-18/h4-12H,1-3H3,(H,22,24)(H,26,27)
InChIKeyNNOZFKPRDCKMED-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.32
Rot. Bonds4

About 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid

2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (PubChem CID 141344445) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
PubChem CID141344445
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H20N4O2/c1-12(2)25(3)19-10-15-9-14(21(26)27)5-6-17(15)23-20(19)13-4-7-18-16(8-13)11-22-24-18/h4-12H,1-3H3,(H,22,24)(H,26,27)
InChIKeyNNOZFKPRDCKMED-UHFFFAOYSA-N
XLogP4.32
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-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

Related Compounds

2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344901
3-(azepin-1-yl)-2-(1H-indazol-5-yl)quinoline-6-carboxylic acid
CID 141344694
methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
CID 141447996
3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
CID 141448054
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
2-(5-chloro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344555
3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
CID 70645781
3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
CID 70645786
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-(dimethylaminomethylidene)-1H-indazole-5-carboxamide
CID 141183520
N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
CID 129191428

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The IUPAC name of 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (CID 141344445) is 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is CC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The InChIKey is NNOZFKPRDCKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12(2)25(3)19-10-15-9-14(21(26)27)5-6-17(15)23-20(19)13-4-7-18-16(8-13)11-22-24-18/h4-12H,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid has a molecular weight of 360.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 141344445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).