2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine

C15H19ClN2 — CID 116985271

IUPAC2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1cc2ccccc2nc1Cl)C(C)C
InChIInChI=1S/C15H19ClN2/c1-10(2)13(9-17-3)12-8-11-6-4-5-7-14(11)18-15(12)16/h4-8,10,13,17H,9H2,1-3H3
InChIKeySIDUUDHFZUNNNU-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine

2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine (PubChem CID 116985271) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine
PubChem CID116985271
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(c1cc2ccccc2nc1Cl)C(C)C
InChIInChI=1S/C15H19ClN2/c1-10(2)13(9-17-3)12-8-11-6-4-5-7-14(11)18-15(12)16/h4-8,10,13,17H,9H2,1-3H3
InChIKeySIDUUDHFZUNNNU-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine (CID 116985271) is 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine is CNCC(c1cc2ccccc2nc1Cl)C(C)C.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is SIDUUDHFZUNNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10(2)13(9-17-3)12-8-11-6-4-5-7-14(11)18-15(12)16/h4-8,10,13,17H,9H2,1-3H3.
What are the key properties of 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine?
2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116985271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).