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

C21H20N4O2 — CID 141344546

IUPAC2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-n1cnc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-13(2)24(3)19-11-15-10-14(21(26)27)8-9-16(15)23-20(19)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,26,27)
InChIKeyOAXYDAKMAGWUHU-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.12
Rot. Bonds4

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

2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (PubChem CID 141344546) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
PubChem CID141344546
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-n1cnc2ccccc21
InChIInChI=1S/C21H20N4O2/c1-13(2)24(3)19-11-15-10-14(21(26)27)8-9-16(15)23-20(19)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,26,27)
InChIKeyOAXYDAKMAGWUHU-UHFFFAOYSA-N
XLogP4.12
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344901
2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
3-[2-[di(propan-2-yl)amino]ethyl]benzimidazole-5-carboxylic acid
CID 82770270
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344445
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (CID 141344546) is 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is CC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The InChIKey is OAXYDAKMAGWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13(2)24(3)19-11-15-10-14(21(26)27)8-9-16(15)23-20(19)25-12-22-17-6-4-5-7-18(17)25/h4-13H,1-3H3,(H,26,27).
What are the key properties of 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid has a molecular weight of 360.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 141344546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).