1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol

C15H19ClN2O — CID 78964550

IUPAC1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1cc2ccccc2nc1Cl)CC(C)(C)O
InChIInChI=1S/C15H19ClN2O/c1-15(2,19)10-18(3)9-12-8-11-6-4-5-7-13(11)17-14(12)16/h4-8,19H,9-10H2,1-3H3
InChIKeyZSVUHTDFKOKALI-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.09
Rot. Bonds4

About 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol

1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 78964550) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID78964550
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCN(Cc1cc2ccccc2nc1Cl)CC(C)(C)O
InChIInChI=1S/C15H19ClN2O/c1-15(2,19)10-18(3)9-12-8-11-6-4-5-7-13(11)17-14(12)16/h4-8,19H,9-10H2,1-3H3
InChIKeyZSVUHTDFKOKALI-UHFFFAOYSA-N
XLogP3.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
N-[(2-chloroquinolin-3-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 62060549
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
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
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
(2-chloroquinolin-3-yl)methanamine
CID 71748539
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol (CID 78964550) is 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol is CN(Cc1cc2ccccc2nc1Cl)CC(C)(C)O.
What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is ZSVUHTDFKOKALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-15(2,19)10-18(3)9-12-8-11-6-4-5-7-13(11)17-14(12)16/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 278.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).