N-[1-(3-chlorophenyl)propyl]quinolin-3-amine

C18H17ClN2 — CID 43691273

IUPACN-[1-(3-chlorophenyl)propyl]quinolin-3-amine
SMILESCCC(Nc1cnc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2/c1-2-17(13-7-5-8-15(19)10-13)21-16-11-14-6-3-4-9-18(14)20-12-16/h3-12,17,21H,2H2,1H3
InChIKeyJBCBIPINJKKPCK-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.45
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]quinolin-3-amine

N-[1-(3-chlorophenyl)propyl]quinolin-3-amine (PubChem CID 43691273) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]quinolin-3-amine
PubChem CID43691273
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]quinolin-3-amine
SMILESCCC(Nc1cnc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2/c1-2-17(13-7-5-8-15(19)10-13)21-16-11-14-6-3-4-9-18(14)20-12-16/h3-12,17,21H,2H2,1H3
InChIKeyJBCBIPINJKKPCK-UHFFFAOYSA-N
XLogP5.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-chlorophenyl)propyl]quinolin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
N-heptan-3-ylquinolin-3-amine
CID 63947322
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
N-[1-(3-chlorophenyl)propyl]-3-ethynylaniline
CID 43102881
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]quinolin-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]quinolin-3-amine (CID 43691273) is N-[1-(3-chlorophenyl)propyl]quinolin-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]quinolin-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]quinolin-3-amine is CCC(Nc1cnc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]quinolin-3-amine?
The InChIKey is JBCBIPINJKKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-17(13-7-5-8-15(19)10-13)21-16-11-14-6-3-4-9-18(14)20-12-16/h3-12,17,21H,2H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]quinolin-3-amine?
N-[1-(3-chlorophenyl)propyl]quinolin-3-amine has a molecular weight of 296.80 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]quinolin-3-amine is sourced from PubChem (CID 43691273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).