N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine

C22H25ClN2 — CID 10247467

IUPACN-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine
SMILESCCCC/N=c1\ccn(CCCc2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C22H25ClN2/c1-2-3-14-24-21-13-16-25(22-17-19(23)11-12-20(21)22)15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,16-17H,2-3,7,10,14-15H2,1H3/b24-21+
InChIKeyYVFORDXDHZVWFF-DARPEHSRSA-N
MW352.91 g/mol
LogP5.63
Rot. Bonds7

About N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine

N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine (PubChem CID 10247467) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine.

Molecular Properties

Compound NameN-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine
PubChem CID10247467
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC NameN-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine
SMILESCCCC/N=c1\ccn(CCCc2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C22H25ClN2/c1-2-3-14-24-21-13-16-25(22-17-19(23)11-12-20(21)22)15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,16-17H,2-3,7,10,14-15H2,1H3/b24-21+
InChIKeyYVFORDXDHZVWFF-DARPEHSRSA-N
XLogP5.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine?
The IUPAC name of N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine (CID 10247467) is N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine.
What is the SMILES notation for N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine?
The canonical SMILES for N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine is CCCC/N=c1\ccn(CCCc2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine?
The InChIKey is YVFORDXDHZVWFF-DARPEHSRSA-N. The full InChI is InChI=1S/C22H25ClN2/c1-2-3-14-24-21-13-16-25(22-17-19(23)11-12-20(21)22)15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,16-17H,2-3,7,10,14-15H2,1H3/b24-21+.
What are the key properties of N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine?
N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine has a molecular weight of 352.91 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-chloro-1-(3-phenylpropyl)quinolin-4-imine is sourced from PubChem (CID 10247467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).