4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide

C23H25FN2O2 — CID 109150621

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H25FN2O2/c24-19-7-3-8-20(15-19)25-22(27)17-10-12-18(13-11-17)23(28)26-14-4-6-16-5-1-2-9-21(16)26/h1-3,5,7-9,15,17-18H,4,6,10-14H2,(H,25,27)
InChIKeyWZTKVVYOEYHSDT-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.55
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 109150621) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID109150621
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H25FN2O2/c24-19-7-3-8-20(15-19)25-22(27)17-10-12-18(13-11-17)23(28)26-14-4-6-16-5-1-2-9-21(16)26/h1-3,5,7-9,15,17-18H,4,6,10-14H2,(H,25,27)
InChIKeyWZTKVVYOEYHSDT-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
CID 109150627
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
4-(2,3-dihydroindole-1-carbonyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 109150575
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide (CID 109150621) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide is O=C(Nc1cccc(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is WZTKVVYOEYHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-19-7-3-8-20(15-19)25-22(27)17-10-12-18(13-11-17)23(28)26-14-4-6-16-5-1-2-9-21(16)26/h1-3,5,7-9,15,17-18H,4,6,10-14H2,(H,25,27).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).