4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

C24H23FN4O2 — CID 122431659

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H23FN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyJWEWBMSUYBELJZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.53
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431659) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
PubChem CID122431659
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12
InChIInChI=1S/C24H23FN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyJWEWBMSUYBELJZ-UHFFFAOYSA-N
XLogP4.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-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

N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25253713
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
TLX agonist 10
CID 162679531
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618
Hedgehog IN-2
CID 67374621
N-[5-(1H-imidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67379186
N-(5-(1H-benzo[d]imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 68778068
N-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780878
Smo-IN-1
CID 70684298

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide (CID 122431659) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
The InChIKey is JWEWBMSUYBELJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-31-22-15-20(16-5-8-18(25)9-6-16)29-21-14-17(7-10-19(21)22)24(30)28-11-3-4-23-26-12-13-27-23/h5-10,12-15H,2-4,11H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).