N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine

C15H19ClN2 — CID 54938310

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2/c1-11(2)9-18(3)10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,9-10H2,1-3H3
InChIKeyYQKAFUKFOWEASU-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.98
Rot. Bonds4

About N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine

N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine (PubChem CID 54938310) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
PubChem CID54938310
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2/c1-11(2)9-18(3)10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,9-10H2,1-3H3
InChIKeyYQKAFUKFOWEASU-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
CID 62184502
(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine (CID 54938310) is N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is YQKAFUKFOWEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-11(2)9-18(3)10-13-8-12-6-4-5-7-14(12)17-15(13)16/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine?
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 54938310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).