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

C23H27N3O2 — CID 109148704

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H27N3O2/c27-22(25-16-20-8-3-4-14-24-20)18-10-12-19(13-11-18)23(28)26-15-5-7-17-6-1-2-9-21(17)26/h1-4,6,8-9,14,18-19H,5,7,10-13,15-16H2,(H,25,27)
InChIKeySYQODHOIYKQFPG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds4

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 109148704) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID109148704
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H27N3O2/c27-22(25-16-20-8-3-4-14-24-20)18-10-12-19(13-11-18)23(28)26-15-5-7-17-6-1-2-9-21(17)26/h1-4,6,8-9,14,18-19H,5,7,10-13,15-16H2,(H,25,27)
InChIKeySYQODHOIYKQFPG-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
1-(2,3-dihydro-1H-indene-1-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77090586
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
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
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 109148704) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1ccccn1)C1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is SYQODHOIYKQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(25-16-20-8-3-4-14-24-20)18-10-12-19(13-11-18)23(28)26-15-5-7-17-6-1-2-9-21(17)26/h1-4,6,8-9,14,18-19H,5,7,10-13,15-16H2,(H,25,27).
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.48, 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-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109148704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).