N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

C22H18ClN3 — CID 10155407

IUPACN-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
SMILESClc1ccc(Nc2ncc(CCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C22H18ClN3/c23-18-9-11-19(12-10-18)26-22-21-6-2-1-5-20(21)17(15-25-22)8-7-16-4-3-13-24-14-16/h1-6,9-15H,7-8H2,(H,25,26)
InChIKeyWCZCMUPZOPWWJE-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.81
Rot. Bonds5

About N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine (PubChem CID 10155407) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
PubChem CID10155407
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC NameN-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
SMILESClc1ccc(Nc2ncc(CCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C22H18ClN3/c23-18-9-11-19(12-10-18)26-22-21-6-2-1-5-20(21)17(15-25-22)8-7-16-4-3-13-24-14-16/h1-6,9-15H,7-8H2,(H,25,26)
InChIKeyWCZCMUPZOPWWJE-UHFFFAOYSA-N
XLogP5.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10224420
N-(3-bromo-4-methylphenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10136776
N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 71033847
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
CID 174799439
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
CID 18186489
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
CID 87963574
CID 87963574
4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethylsulfanyl)phenyl]isoquinolin-1-amine
CID 71033914
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 56695154
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine (CID 10155407) is N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine is Clc1ccc(Nc2ncc(CCc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine?
The InChIKey is WCZCMUPZOPWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c23-18-9-11-19(12-10-18)26-22-21-6-2-1-5-20(21)17(15-25-22)8-7-16-4-3-13-24-14-16/h1-6,9-15H,7-8H2,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine?
N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine has a molecular weight of 359.86 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine is sourced from PubChem (CID 10155407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).