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

C15H14N4O2 — CID 115620011

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H14N4O2/c20-14-10-3-1-2-4-12(10)19-9-11(14)15(21)18-6-5-13-16-7-8-17-13/h1-4,7-9H,5-6H2,(H,16,17)(H,18,21)(H,19,20)
InChIKeyRVRQDORQEVXEOB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.22
Rot. Bonds4

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

N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 115620011) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID115620011
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H14N4O2/c20-14-10-3-1-2-4-12(10)19-9-11(14)15(21)18-6-5-13-16-7-8-17-13/h1-4,7-9H,5-6H2,(H,16,17)(H,18,21)(H,19,20)
InChIKeyRVRQDORQEVXEOB-UHFFFAOYSA-N
XLogP1.22
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 115620011) is N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCCc1ncc[nH]1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RVRQDORQEVXEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-10-3-1-2-4-12(10)19-9-11(14)15(21)18-6-5-13-16-7-8-17-13/h1-4,7-9H,5-6H2,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 115620011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).