N-(quinolin-8-ylmethyl)azepane-2-carboxamide

C17H21N3O — CID 81427479

IUPACN-(quinolin-8-ylmethyl)azepane-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)C1CCCCCN1
InChIInChI=1S/C17H21N3O/c21-17(15-9-2-1-3-10-18-15)20-12-14-7-4-6-13-8-5-11-19-16(13)14/h4-8,11,15,18H,1-3,9-10,12H2,(H,20,21)
InChIKeySVKSKNSQIORQIQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.38
Rot. Bonds3

About N-(quinolin-8-ylmethyl)azepane-2-carboxamide

N-(quinolin-8-ylmethyl)azepane-2-carboxamide (PubChem CID 81427479) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)azepane-2-carboxamide
PubChem CID81427479
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-(quinolin-8-ylmethyl)azepane-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)C1CCCCCN1
InChIInChI=1S/C17H21N3O/c21-17(15-9-2-1-3-10-18-15)20-12-14-7-4-6-13-8-5-11-19-16(13)14/h4-8,11,15,18H,1-3,9-10,12H2,(H,20,21)
InChIKeySVKSKNSQIORQIQ-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(quinolin-8-ylmethyl)azepane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 81428574
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
3-amino-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119868760
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-(quinolin-8-ylmethyl)azepane-2-carboxamide (CID 81427479) is N-(quinolin-8-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)azepane-2-carboxamide is O=C(NCc1cccc2cccnc12)C1CCCCCN1.
What is the InChIKey of N-(quinolin-8-ylmethyl)azepane-2-carboxamide?
The InChIKey is SVKSKNSQIORQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-9-2-1-3-10-18-15)20-12-14-7-4-6-13-8-5-11-19-16(13)14/h4-8,11,15,18H,1-3,9-10,12H2,(H,20,21).
What are the key properties of N-(quinolin-8-ylmethyl)azepane-2-carboxamide?
N-(quinolin-8-ylmethyl)azepane-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 81427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).