N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H18N4O3 — CID 70767350

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NCCc1cnc[nH]1)CC(=O)N2
InChIInChI=1S/C16H18N4O3/c1-23-11-2-3-14-12(6-11)13(7-15(21)20-14)16(22)18-5-4-10-8-17-9-19-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyWTHNGIPTEZMFEQ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70767350) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70767350
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NCCc1cnc[nH]1)CC(=O)N2
InChIInChI=1S/C16H18N4O3/c1-23-11-2-3-14-12(6-11)13(7-15(21)20-14)16(22)18-5-4-10-8-17-9-19-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyWTHNGIPTEZMFEQ-UHFFFAOYSA-N
XLogP1.20
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70729514
6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70773066
(4S)-6-methoxy-2-oxo-N-(4-pyridin-2-ylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97147593
6-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752855
(4R)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95120815
(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97123757
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
6-methoxy-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70778095
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132022
5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70783327
(4R)-6-methoxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97144072

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70767350) is N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)C(C(=O)NCCc1cnc[nH]1)CC(=O)N2.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WTHNGIPTEZMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-11-2-3-14-12(6-11)13(7-15(21)20-14)16(22)18-5-4-10-8-17-9-19-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70767350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).