3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine

C32H29N3 — CID 91534004

IUPAC3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine
SMILESCc1nc2ccccc2c(N)c1-c1cccc(-c2ccccc2CN2CCc3ccccc3C2)c1
InChIInChI=1S/C32H29N3/c1-22-31(32(33)29-15-6-7-16-30(29)34-22)25-13-8-12-24(19-25)28-14-5-4-11-27(28)21-35-18-17-23-9-2-3-10-26(23)20-35/h2-16,19H,17-18,20-21H2,1H3,(H2,33,34)
InChIKeySLICMJHIWSANKT-UHFFFAOYSA-N
MW455.61 g/mol
LogP7.02
Rot. Bonds4

About 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine

3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine (PubChem CID 91534004) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine
PubChem CID91534004
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC Name3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine
SMILESCc1nc2ccccc2c(N)c1-c1cccc(-c2ccccc2CN2CCc3ccccc3C2)c1
InChIInChI=1S/C32H29N3/c1-22-31(32(33)29-15-6-7-16-30(29)34-22)25-13-8-12-24(19-25)28-14-5-4-11-27(28)21-35-18-17-23-9-2-3-10-26(23)20-35/h2-16,19H,17-18,20-21H2,1H3,(H2,33,34)
InChIKeySLICMJHIWSANKT-UHFFFAOYSA-N
XLogP7.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-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

3-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethoxy]phenyl]-2-methylquinolin-4-amine
CID 91032123
2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 29029237
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
4-hydrazinyl-6-[2-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
CID 69016574
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 141136072
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,6-dimethylphenol
CID 71944660
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylimidazo[1,2-a]pyridin-6-amine
CID 82058437
[2-amino-6-[2-(aminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 59483557
4-amino-2-(2-ethylphenyl)quinoline-3-carboxylic acid
CID 69016708
2-[3-(7,8-dihydrobenzo[c]phenanthren-5-yl)phenyl]-1-phenylbenzimidazole
CID 67991408

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine?
The IUPAC name of 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine (CID 91534004) is 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine.
What is the SMILES notation for 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine?
The canonical SMILES for 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine is Cc1nc2ccccc2c(N)c1-c1cccc(-c2ccccc2CN2CCc3ccccc3C2)c1.
What is the InChIKey of 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine?
The InChIKey is SLICMJHIWSANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3/c1-22-31(32(33)29-15-6-7-16-30(29)34-22)25-13-8-12-24(19-25)28-14-5-4-11-27(28)21-35-18-17-23-9-2-3-10-26(23)20-35/h2-16,19H,17-18,20-21H2,1H3,(H2,33,34).
What are the key properties of 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine?
3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine has a molecular weight of 455.61 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 91534004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).