N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide

C18H25N3O2 — CID 119312870

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3(N)CCCCC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-13(22)21-11-5-6-14-12-15(7-8-16(14)21)20-17(23)18(19)9-3-2-4-10-18/h7-8,12H,2-6,9-11,19H2,1H3,(H,20,23)
InChIKeyQREZZDPOBKDSNX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.59
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide (PubChem CID 119312870) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
PubChem CID119312870
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3(N)CCCCC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-13(22)21-11-5-6-14-12-15(7-8-16(14)21)20-17(23)18(19)9-3-2-4-10-18/h7-8,12H,2-6,9-11,19H2,1H3,(H,20,23)
InChIKeyQREZZDPOBKDSNX-UHFFFAOYSA-N
XLogP2.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 46948542
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide (CID 119312870) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide is CC(=O)N1CCCc2cc(NC(=O)C3(N)CCCCC3)ccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide?
The InChIKey is QREZZDPOBKDSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(22)21-11-5-6-14-12-15(7-8-16(14)21)20-17(23)18(19)9-3-2-4-10-18/h7-8,12H,2-6,9-11,19H2,1H3,(H,20,23).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119312870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).