N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine

C17H22ClN3 — CID 104979426

IUPACN-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1ccc(Cl)c2cccnc12)C1CCCNCC1
InChIInChI=1S/C17H22ClN3/c1-21(14-4-2-9-19-11-8-14)12-13-6-7-16(18)15-5-3-10-20-17(13)15/h3,5-7,10,14,19H,2,4,8-9,11-12H2,1H3
InChIKeyYVXLYCAZGCUVNR-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.46
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine

N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine (PubChem CID 104979426) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
PubChem CID104979426
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1ccc(Cl)c2cccnc12)C1CCCNCC1
InChIInChI=1S/C17H22ClN3/c1-21(14-4-2-9-19-11-8-14)12-13-6-7-16(18)15-5-3-10-20-17(13)15/h3,5-7,10,14,19H,2,4,8-9,11-12H2,1H3
InChIKeyYVXLYCAZGCUVNR-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623813
N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
CID 107172040
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
N-benzyl-N-[(5-chloroquinolin-8-yl)methyl]cyclopropanamine
CID 60506252
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
CID 111431912
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylazepan-4-amine
CID 104974321
N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
CID 107171927
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-(azepan-4-yl)-8-chloroquinolin-5-amine
CID 103981370

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine (CID 104979426) is N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine is CN(Cc1ccc(Cl)c2cccnc12)C1CCCNCC1.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine?
The InChIKey is YVXLYCAZGCUVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-21(14-4-2-9-19-11-8-14)12-13-6-7-16(18)15-5-3-10-20-17(13)15/h3,5-7,10,14,19H,2,4,8-9,11-12H2,1H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine?
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine has a molecular weight of 303.84 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 104979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).