2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline

C33H29N3 — CID 134512262

IUPAC2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline
SMILESCc1nc(CCc2cc3ccccc3c(CCc3cc(C)c4ccccc4c3)n2)c2ccccc2n1
InChIInChI=1S/C33H29N3/c1-22-19-24(20-25-9-3-5-11-28(22)25)15-17-32-29-12-6-4-10-26(29)21-27(36-32)16-18-33-30-13-7-8-14-31(30)34-23(2)35-33/h3-14,19-21H,15-18H2,1-2H3
InChIKeyVOGXIMIKCNNUQW-UHFFFAOYSA-N
MW467.62 g/mol
LogP7.52
Rot. Bonds6

About 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline

2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline (PubChem CID 134512262) has the molecular formula C33H29N3 and a molecular weight of 467.62 g/mol. Its IUPAC name is 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline
PubChem CID134512262
Molecular FormulaC33H29N3
Molecular Weight467.62 g/mol
Exact Mass467.24
IUPAC Name2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline
SMILESCc1nc(CCc2cc3ccccc3c(CCc3cc(C)c4ccccc4c3)n2)c2ccccc2n1
InChIInChI=1S/C33H29N3/c1-22-19-24(20-25-9-3-5-11-28(22)25)15-17-32-29-12-6-4-10-26(29)21-27(36-32)16-18-33-30-13-7-8-14-31(30)34-23(2)35-33/h3-14,19-21H,15-18H2,1-2H3
InChIKeyVOGXIMIKCNNUQW-UHFFFAOYSA-N
XLogP7.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline?
The IUPAC name of 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline (CID 134512262) is 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline.
What is the SMILES notation for 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline?
The canonical SMILES for 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline is Cc1nc(CCc2cc3ccccc3c(CCc3cc(C)c4ccccc4c3)n2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline?
The InChIKey is VOGXIMIKCNNUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3/c1-22-19-24(20-25-9-3-5-11-28(22)25)15-17-32-29-12-6-4-10-26(29)21-27(36-32)16-18-33-30-13-7-8-14-31(30)34-23(2)35-33/h3-14,19-21H,15-18H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline?
2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline has a molecular weight of 467.62 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[1-[2-(4-methylnaphthalen-2-yl)ethyl]isoquinolin-3-yl]ethyl]quinazoline is sourced from PubChem (CID 134512262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).