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

C24H28N2O3 — CID 109150620

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-29-21-14-12-20(13-15-21)25-23(27)18-8-10-19(11-9-18)24(28)26-16-4-6-17-5-2-3-7-22(17)26/h2-3,5,7,12-15,18-19H,4,6,8-11,16H2,1H3,(H,25,27)
InChIKeySXAPYEGYEHWMCV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.42
Rot. Bonds4

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 109150620) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID109150620
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-29-21-14-12-20(13-15-21)25-23(27)18-8-10-19(11-9-18)24(28)26-16-4-6-17-5-2-3-7-22(17)26/h2-3,5,7,12-15,18-19H,4,6,8-11,16H2,1H3,(H,25,27)
InChIKeySXAPYEGYEHWMCV-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 109150621
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
4-(2,3-dihydroindole-1-carbonyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 109150575
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 109150620) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is SXAPYEGYEHWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-29-21-14-12-20(13-15-21)25-23(27)18-8-10-19(11-9-18)24(28)26-16-4-6-17-5-2-3-7-22(17)26/h2-3,5,7,12-15,18-19H,4,6,8-11,16H2,1H3,(H,25,27).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).