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

C21H20N4O3 — CID 54703047

IUPACN-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-2-3-12-25-16-11-7-4-8-13(16)18(26)17(20(25)28)19(27)24-21-22-14-9-5-6-10-15(14)23-21/h4-11,26H,2-3,12H2,1H3,(H2,22,23,24,27)
InChIKeyIFKYFMJMLNTCEQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.64
Rot. Bonds5

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

N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54703047) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54703047
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21
InChIInChI=1S/C21H20N4O3/c1-2-3-12-25-16-11-7-4-8-13(16)18(26)17(20(25)28)19(27)24-21-22-14-9-5-6-10-15(14)23-21/h4-11,26H,2-3,12H2,1H3,(H2,22,23,24,27)
InChIKeyIFKYFMJMLNTCEQ-UHFFFAOYSA-N
XLogP3.64
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54703047) is N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is IFKYFMJMLNTCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-3-12-25-16-11-7-4-8-13(16)18(26)17(20(25)28)19(27)24-21-22-14-9-5-6-10-15(14)23-21/h4-11,26H,2-3,12H2,1H3,(H2,22,23,24,27).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(1H-benzimidazol-2-yl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.64, 5 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)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54703047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).