N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine

C19H18ClN3 — CID 59290841

IUPACN-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine
SMILESClc1ccc(CN2CC(Nc3ccc4cnccc4c3)C2)cc1
InChIInChI=1S/C19H18ClN3/c20-17-4-1-14(2-5-17)11-23-12-19(13-23)22-18-6-3-16-10-21-8-7-15(16)9-18/h1-10,19,22H,11-13H2
InChIKeyWWDADFVIZAVHSL-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.18
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine

N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine (PubChem CID 59290841) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine
PubChem CID59290841
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine
SMILESClc1ccc(CN2CC(Nc3ccc4cnccc4c3)C2)cc1
InChIInChI=1S/C19H18ClN3/c20-17-4-1-14(2-5-17)11-23-12-19(13-23)22-18-6-3-16-10-21-8-7-15(16)9-18/h1-10,19,22H,11-13H2
InChIKeyWWDADFVIZAVHSL-UHFFFAOYSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290603
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 59290812
N-(1-propylazetidin-3-yl)isoquinolin-6-amine
CID 59290573
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]isoquinolin-6-amine;hydrochloride
CID 24967850
N-[1-[(4-chlorophenyl)methyl]-2-iodopiperidin-3-yl]isoquinolin-6-amine
CID 68809192
N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 68593122
N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
CID 68592235
N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
CID 59290831
N'-[2-chloro-5-[[(3R)-3-(isoquinolin-6-ylamino)pyrrolidin-1-yl]methyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 68593513
N'-[2-chloro-5-[[(3R)-3-(isoquinolin-6-ylamino)pyrrolidin-1-yl]methyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide;methane;hydrochloride
CID 161485084
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
CID 161211236

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine (CID 59290841) is N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine is Clc1ccc(CN2CC(Nc3ccc4cnccc4c3)C2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine?
The InChIKey is WWDADFVIZAVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-17-4-1-14(2-5-17)11-23-12-19(13-23)22-18-6-3-16-10-21-8-7-15(16)9-18/h1-10,19,22H,11-13H2.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine?
N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine has a molecular weight of 323.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine is sourced from PubChem (CID 59290841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).