6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

C23H22N4O3 — CID 18473047

IUPAC6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3cccc(Cn4ccnc4)c3)c(=O)c2c1
InChIInChI=1S/C23H22N4O3/c1-2-30-18-6-7-21-19(11-18)22(28)20(13-25-21)23(29)26-12-16-4-3-5-17(10-16)14-27-9-8-24-15-27/h3-11,13,15H,2,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyGMFJBKKFYPRHRJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.10
Rot. Bonds7

About 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473047) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473047
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3cccc(Cn4ccnc4)c3)c(=O)c2c1
InChIInChI=1S/C23H22N4O3/c1-2-30-18-6-7-21-19(11-18)22(28)20(13-25-21)23(29)26-12-16-4-3-5-17(10-16)14-27-9-8-24-15-27/h3-11,13,15H,2,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyGMFJBKKFYPRHRJ-UHFFFAOYSA-N
XLogP3.10
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
ethyl N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 55683728
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 3413662
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 18473047) is 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc2[nH]cc(C(=O)NCc3cccc(Cn4ccnc4)c3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GMFJBKKFYPRHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-30-18-6-7-21-19(11-18)22(28)20(13-25-21)23(29)26-12-16-4-3-5-17(10-16)14-27-9-8-24-15-27/h3-11,13,15H,2,12,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).