8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine

C22H24Cl2N2 — CID 56663539

IUPAC8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
SMILESCCCN(CCC)c1c(C)ncc2c(-c3ccc(Cl)cc3Cl)cccc12
InChIInChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)22-15(3)25-14-20-17(7-6-8-19(20)22)18-10-9-16(23)13-21(18)24/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyOYZDKZNPRWAENE-UHFFFAOYSA-N
MW387.35 g/mol
LogP7.14
Rot. Bonds6

About 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine

8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine (PubChem CID 56663539) has the molecular formula C22H24Cl2N2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
PubChem CID56663539
Molecular FormulaC22H24Cl2N2
Molecular Weight387.35 g/mol
Exact Mass386.13
IUPAC Name8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
SMILESCCCN(CCC)c1c(C)ncc2c(-c3ccc(Cl)cc3Cl)cccc12
InChIInChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)22-15(3)25-14-20-17(7-6-8-19(20)22)18-10-9-16(23)13-21(18)24/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyOYZDKZNPRWAENE-UHFFFAOYSA-N
XLogP7.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinolin-4-amine
CID 9821586
2-(4-Chlorophenyl)quinoxaline
CID 754124
2-[(2,6-Dichlorophenyl)methyl]isoquinolin-2-ium bromide
CID 17385245
1-(4-chloro-2-methylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
CID 44446720
1-[(2,6-Dichlorophenyl)methyl]quinolin-1-ium;bromide
CID 23723187
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoxaline
CID 5714040
4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline
CID 5351666
Butyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4-yl]-ethyl-amine
CID 44341636
Benzyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4-yl]-propyl-amine
CID 44341664
[8-(2,4-Dichloro-phenyl)-2,7-dimethyl-quinolin-4-yl]-dipropyl-amine
CID 44341875
1-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
CID 44446715
1-(4-chlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
CID 44446719

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine (CID 56663539) is 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine is CCCN(CCC)c1c(C)ncc2c(-c3ccc(Cl)cc3Cl)cccc12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
The InChIKey is OYZDKZNPRWAENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)22-15(3)25-14-20-17(7-6-8-19(20)22)18-10-9-16(23)13-21(18)24/h6-10,13-14H,4-5,11-12H2,1-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine?
8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine has a molecular weight of 387.35 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine is sourced from PubChem (CID 56663539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).