N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H33N3O — CID 24901539

IUPACN-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(=O)N(C)CCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C24H33N3O/c1-18-12-13-21-22(19(18)2)16-27(17-23(21)20-10-7-6-8-11-20)24(28)26(5)15-9-14-25(3)4/h6-8,10-13,23H,9,14-17H2,1-5H3
InChIKeyRLYICDBCHGJISR-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901539) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901539
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc2c(c1C)CN(C(=O)N(C)CCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C24H33N3O/c1-18-12-13-21-22(19(18)2)16-27(17-23(21)20-10-7-6-8-11-20)24(28)26(5)15-9-14-25(3)4/h6-8,10-13,23H,9,14-17H2,1-5H3
InChIKeyRLYICDBCHGJISR-UHFFFAOYSA-N
XLogP4.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide 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 N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901539) is N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc2c(c1C)CN(C(=O)N(C)CCCN(C)C)CC2c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RLYICDBCHGJISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-18-12-13-21-22(19(18)2)16-27(17-23(21)20-10-7-6-8-11-20)24(28)26(5)15-9-14-25(3)4/h6-8,10-13,23H,9,14-17H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).