N,N-dibutyl-2-(chloromethyl)quinolin-4-amine

C18H25ClN2 — CID 63445296

IUPACN,N-dibutyl-2-(chloromethyl)quinolin-4-amine
SMILESCCCCN(CCCC)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H25ClN2/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyGJZQMGMBFJACEE-UHFFFAOYSA-N
MW304.87 g/mol
LogP5.38
Rot. Bonds8

About N,N-dibutyl-2-(chloromethyl)quinolin-4-amine

N,N-dibutyl-2-(chloromethyl)quinolin-4-amine (PubChem CID 63445296) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is N,N-dibutyl-2-(chloromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-2-(chloromethyl)quinolin-4-amine
PubChem CID63445296
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC NameN,N-dibutyl-2-(chloromethyl)quinolin-4-amine
SMILESCCCCN(CCCC)c1cc(CCl)nc2ccccc12
InChIInChI=1S/C18H25ClN2/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyGJZQMGMBFJACEE-UHFFFAOYSA-N
XLogP5.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.87
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(chloromethyl)quinolin-4-amine?
The IUPAC name of N,N-dibutyl-2-(chloromethyl)quinolin-4-amine (CID 63445296) is N,N-dibutyl-2-(chloromethyl)quinolin-4-amine.
What is the SMILES notation for N,N-dibutyl-2-(chloromethyl)quinolin-4-amine?
The canonical SMILES for N,N-dibutyl-2-(chloromethyl)quinolin-4-amine is CCCCN(CCCC)c1cc(CCl)nc2ccccc12.
What is the InChIKey of N,N-dibutyl-2-(chloromethyl)quinolin-4-amine?
The InChIKey is GJZQMGMBFJACEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(chloromethyl)quinolin-4-amine?
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine has a molecular weight of 304.87 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(chloromethyl)quinolin-4-amine is sourced from PubChem (CID 63445296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).