N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C23H25N3O — CID 75401963

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C23H25N3O/c1-26(2)15-17-12-10-16(11-13-17)14-24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10-13H,5,7,9,14-15H2,1-2H3,(H,24,27)
InChIKeyWFMLVRQZIDQFJC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.72
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 75401963) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID75401963
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C23H25N3O/c1-26(2)15-17-12-10-16(11-13-17)14-24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10-13H,5,7,9,14-15H2,1-2H3,(H,24,27)
InChIKeyWFMLVRQZIDQFJC-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-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-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 75401963) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is CN(C)Cc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is WFMLVRQZIDQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-26(2)15-17-12-10-16(11-13-17)14-24-23(27)22-18-6-3-4-8-20(18)25-21-9-5-7-19(21)22/h3-4,6,8,10-13H,5,7,9,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 75401963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).