6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine

C28H24N4 — CID 118043574

IUPAC6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
SMILESCc1cccc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)nccc3c2)c1
InChIInChI=1S/C28H24N4/c1-19-4-3-5-22(14-19)23-7-8-26-24(16-23)10-13-30-28(26)32-18-21-6-9-27(31-17-21)25-11-12-29-20(2)15-25/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyNGQBBQGSBXQJKE-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.59
Rot. Bonds5

About 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine

6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine (PubChem CID 118043574) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
PubChem CID118043574
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
SMILESCc1cccc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)nccc3c2)c1
InChIInChI=1S/C28H24N4/c1-19-4-3-5-22(14-19)23-7-8-26-24(16-23)10-13-30-28(26)32-18-21-6-9-27(31-17-21)25-11-12-29-20(2)15-25/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyNGQBBQGSBXQJKE-UHFFFAOYSA-N
XLogP6.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-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

N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylisoquinolin-1-amine
CID 71617872
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 57413824
N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 130368685
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
CID 71617942
N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 118634299
6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 71618805
N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 161348397
6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
CID 118634314
6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
CID 175275331
6-(3-chlorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-phenyl-2,7-naphthyridin-1-amine
CID 161183960

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The IUPAC name of 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine (CID 118043574) is 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine is Cc1cccc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)nccc3c2)c1.
What is the InChIKey of 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine?
The InChIKey is NGQBBQGSBXQJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-19-4-3-5-22(14-19)23-7-8-26-24(16-23)10-13-30-28(26)32-18-21-6-9-27(31-17-21)25-11-12-29-20(2)15-25/h3-17H,18H2,1-2H3,(H,30,32).
What are the key properties of 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine?
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine has a molecular weight of 416.53 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 118043574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).