4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine

C16H14ClN3 — CID 143290184

IUPAC4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
SMILESCc1ccc2c(-c3ccc(Cl)cc3)c(N)nc(N)c2c1
InChIInChI=1S/C16H14ClN3/c1-9-2-7-12-13(8-9)15(18)20-16(19)14(12)10-3-5-11(17)6-4-10/h2-8H,1H3,(H4,18,19,20)
InChIKeyTVRFNMHOIDIPGJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.03
Rot. Bonds1

About 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine

4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine (PubChem CID 143290184) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
PubChem CID143290184
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
SMILESCc1ccc2c(-c3ccc(Cl)cc3)c(N)nc(N)c2c1
InChIInChI=1S/C16H14ClN3/c1-9-2-7-12-13(8-9)15(18)20-16(19)14(12)10-3-5-11(17)6-4-10/h2-8H,1H3,(H4,18,19,20)
InChIKeyTVRFNMHOIDIPGJ-UHFFFAOYSA-N
XLogP4.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
CID 177422470
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
4-chloro-6-(4-methylphenyl)pyridin-2-amine
CID 82393129
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098
2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
CID 64983492
4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine
CID 143290185
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
1-chloro-4-methylbenzene;zinc
CID 174694335
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
1-(4-chlorophenyl)-6-methyl-2H-isoindole
CID 150438027
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine?
The IUPAC name of 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine (CID 143290184) is 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine is Cc1ccc2c(-c3ccc(Cl)cc3)c(N)nc(N)c2c1.
What is the InChIKey of 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine?
The InChIKey is TVRFNMHOIDIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-9-2-7-12-13(8-9)15(18)20-16(19)14(12)10-3-5-11(17)6-4-10/h2-8H,1H3,(H4,18,19,20).
What are the key properties of 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine?
4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine has a molecular weight of 283.76 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine is sourced from PubChem (CID 143290184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).