8-methyl-N-(oxepan-4-yl)quinolin-5-amine

C16H20N2O — CID 65082047

IUPAC8-methyl-N-(oxepan-4-yl)quinolin-5-amine
SMILESCc1ccc(NC2CCCOCC2)c2cccnc12
InChIInChI=1S/C16H20N2O/c1-12-6-7-15(14-5-2-9-17-16(12)14)18-13-4-3-10-19-11-8-13/h2,5-7,9,13,18H,3-4,8,10-11H2,1H3
InChIKeyHGIJTXNCGOZGHR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.52
Rot. Bonds2

About 8-methyl-N-(oxepan-4-yl)quinolin-5-amine

8-methyl-N-(oxepan-4-yl)quinolin-5-amine (PubChem CID 65082047) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 8-methyl-N-(oxepan-4-yl)quinolin-5-amine.

Molecular Properties

Compound Name8-methyl-N-(oxepan-4-yl)quinolin-5-amine
PubChem CID65082047
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name8-methyl-N-(oxepan-4-yl)quinolin-5-amine
SMILESCc1ccc(NC2CCCOCC2)c2cccnc12
InChIInChI=1S/C16H20N2O/c1-12-6-7-15(14-5-2-9-17-16(12)14)18-13-4-3-10-19-11-8-13/h2,5-7,9,13,18H,3-4,8,10-11H2,1H3
InChIKeyHGIJTXNCGOZGHR-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
N-(4,4-dimethylcycloheptyl)-8-methylquinolin-5-amine
CID 65083328
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
CID 79458949
N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
CID 112573902
N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine
CID 79860412
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
8-methyl-N-(thian-3-yl)quinolin-4-amine
CID 133368635
4-N-(oxan-3-yl)quinoline-4,8-diamine
CID 83060374
N-(oxan-4-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676380

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(oxepan-4-yl)quinolin-5-amine?
The IUPAC name of 8-methyl-N-(oxepan-4-yl)quinolin-5-amine (CID 65082047) is 8-methyl-N-(oxepan-4-yl)quinolin-5-amine.
What is the SMILES notation for 8-methyl-N-(oxepan-4-yl)quinolin-5-amine?
The canonical SMILES for 8-methyl-N-(oxepan-4-yl)quinolin-5-amine is Cc1ccc(NC2CCCOCC2)c2cccnc12.
What is the InChIKey of 8-methyl-N-(oxepan-4-yl)quinolin-5-amine?
The InChIKey is HGIJTXNCGOZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-7-15(14-5-2-9-17-16(12)14)18-13-4-3-10-19-11-8-13/h2,5-7,9,13,18H,3-4,8,10-11H2,1H3.
What are the key properties of 8-methyl-N-(oxepan-4-yl)quinolin-5-amine?
8-methyl-N-(oxepan-4-yl)quinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(oxepan-4-yl)quinolin-5-amine is sourced from PubChem (CID 65082047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).