N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C20H18N4O2 — CID 75490455

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCn1c(CCNC(=O)c2c[nH]c3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-24-17-9-5-4-8-16(17)23-18(24)10-11-21-20(26)14-12-22-15-7-3-2-6-13(15)19(14)25/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyJDQZVEWALKCFKI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 75490455) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID75490455
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCn1c(CCNC(=O)c2c[nH]c3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-24-17-9-5-4-8-16(17)23-18(24)10-11-21-20(26)14-12-22-15-7-3-2-6-13(15)19(14)25/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyJDQZVEWALKCFKI-UHFFFAOYSA-N
XLogP2.39
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 135963099
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822683
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
N-[2-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 56562425
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75357001
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 75490455) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is Cn1c(CCNC(=O)c2c[nH]c3ccccc3c2=O)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JDQZVEWALKCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-17-9-5-4-8-16(17)23-18(24)10-11-21-20(26)14-12-22-15-7-3-2-6-13(15)19(14)25/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 75490455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).