N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

C21H20N4O3 — CID 54676151

IUPACN-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-12(2)11-25-16-10-6-3-7-13(16)18(26)17(20(25)28)19(27)24-21-22-14-8-4-5-9-15(14)23-21/h3-10,12,26H,11H2,1-2H3,(H2,22,23,24,27)
InChIKeyFMOPFKCAYZGHIR-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.49
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54676151) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
PubChem CID54676151
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-12(2)11-25-16-10-6-3-7-13(16)18(26)17(20(25)28)19(27)24-21-22-14-8-4-5-9-15(14)23-21/h3-10,12,26H,11H2,1-2H3,(H2,22,23,24,27)
InChIKeyFMOPFKCAYZGHIR-UHFFFAOYSA-N
XLogP3.49
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
N-(1H-benzimidazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815652
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4912276
4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
CID 166860255
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 166860092
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (CID 54676151) is N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is FMOPFKCAYZGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12(2)11-25-16-10-6-3-7-13(16)18(26)17(20(25)28)19(27)24-21-22-14-8-4-5-9-15(14)23-21/h3-10,12,26H,11H2,1-2H3,(H2,22,23,24,27).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).