N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide

C16H22N2O — CID 5028392

IUPACN-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
SMILESO=C(NN1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h4-5,7,11,14H,1-3,6,8-10,12H2,(H,17,19)
InChIKeyZXALDBRLZPLGNM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.05
Rot. Bonds2

About N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide

N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide (PubChem CID 5028392) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
PubChem CID5028392
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
SMILESO=C(NN1CCCc2ccccc21)C1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h4-5,7,11,14H,1-3,6,8-10,12H2,(H,17,19)
InChIKeyZXALDBRLZPLGNM-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
3-cyclopropyl-N-(3,4-dihydro-2H-quinolin-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957462
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
CID 173251372
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
2,3-dihydroindol-1-ylurea
CID 22353227
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]cyclohexanecarboxamide
CID 113046028
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
3-benzyl-4-phenyl-N-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanamide
CID 155295177

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide (CID 5028392) is N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide is O=C(NN1CCCc2ccccc21)C1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide?
The InChIKey is ZXALDBRLZPLGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(14-8-2-1-3-9-14)17-18-12-6-10-13-7-4-5-11-15(13)18/h4-5,7,11,14H,1-3,6,8-10,12H2,(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide?
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 5028392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).