4-chloro-N-propylisoquinolin-6-amine

C12H13ClN2 — CID 145136240

IUPAC4-chloro-N-propylisoquinolin-6-amine
SMILESCCCNc1ccc2cncc(Cl)c2c1
InChIInChI=1S/C12H13ClN2/c1-2-5-15-10-4-3-9-7-14-8-12(13)11(9)6-10/h3-4,6-8,15H,2,5H2,1H3
InChIKeyBMEFXFJVZVGNKP-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.71
Rot. Bonds3

About 4-chloro-N-propylisoquinolin-6-amine

4-chloro-N-propylisoquinolin-6-amine (PubChem CID 145136240) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-chloro-N-propylisoquinolin-6-amine.

Molecular Properties

Compound Name4-chloro-N-propylisoquinolin-6-amine
PubChem CID145136240
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-chloro-N-propylisoquinolin-6-amine
SMILESCCCNc1ccc2cncc(Cl)c2c1
InChIInChI=1S/C12H13ClN2/c1-2-5-15-10-4-3-9-7-14-8-12(13)11(9)6-10/h3-4,6-8,15H,2,5H2,1H3
InChIKeyBMEFXFJVZVGNKP-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-propylisoquinolin-6-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

2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide
CID 118660859
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
(3S)-N-(4-chloroisoquinolin-6-yl)-3-(3-sulfanylphenyl)pentanamide
CID 163602853
5-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534286
N-butyl-3-chloroisoquinolin-6-amine
CID 166272993
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
6-methyl-N-propylphenanthridin-8-amine
CID 102572857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propylisoquinolin-6-amine?
The IUPAC name of 4-chloro-N-propylisoquinolin-6-amine (CID 145136240) is 4-chloro-N-propylisoquinolin-6-amine.
What is the SMILES notation for 4-chloro-N-propylisoquinolin-6-amine?
The canonical SMILES for 4-chloro-N-propylisoquinolin-6-amine is CCCNc1ccc2cncc(Cl)c2c1.
What is the InChIKey of 4-chloro-N-propylisoquinolin-6-amine?
The InChIKey is BMEFXFJVZVGNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-2-5-15-10-4-3-9-7-14-8-12(13)11(9)6-10/h3-4,6-8,15H,2,5H2,1H3.
What are the key properties of 4-chloro-N-propylisoquinolin-6-amine?
4-chloro-N-propylisoquinolin-6-amine has a molecular weight of 220.70 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propylisoquinolin-6-amine is sourced from PubChem (CID 145136240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).