2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C24H27N3 — CID 123145331

IUPAC2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C=C2CCCc3cc(C)ncc32)CCN(C)C1
InChIInChI=1S/C24H27N3/c1-16-7-8-23-20(11-16)22-15-26(3)10-9-24(22)27(23)14-19-6-4-5-18-12-17(2)25-13-21(18)19/h7-8,11-14H,4-6,9-10,15H2,1-3H3
InChIKeyYXKKIBJLVWBSJJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.98
Rot. Bonds1

About 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 123145331) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID123145331
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C=C2CCCc3cc(C)ncc32)CCN(C)C1
InChIInChI=1S/C24H27N3/c1-16-7-8-23-20(11-16)22-15-26(3)10-9-24(22)27(23)14-19-6-4-5-18-12-17(2)25-13-21(18)19/h7-8,11-14H,4-6,9-10,15H2,1-3H3
InChIKeyYXKKIBJLVWBSJJ-UHFFFAOYSA-N
XLogP4.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole 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 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 123145331) is 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2C=C2CCCc3cc(C)ncc32)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is YXKKIBJLVWBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-16-7-8-23-20(11-16)22-15-26(3)10-9-24(22)27(23)14-19-6-4-5-18-12-17(2)25-13-21(18)19/h7-8,11-14H,4-6,9-10,15H2,1-3H3.
What are the key properties of 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 357.50 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(3-methyl-6,7-dihydro-5H-isoquinolin-8-ylidene)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 123145331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).