4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide

C30H34N4O2 — CID 19356235

IUPAC4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide
SMILESCC(C)N(CCNc1c(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C
InChIInChI=1S/C30H34N4O2/c1-21(2)33(22(3)4)20-19-31-28-25-17-11-12-18-26(25)34(24-15-9-6-10-16-24)30(36)27(28)29(35)32-23-13-7-5-8-14-23/h5-18,21-22,31H,19-20H2,1-4H3,(H,32,35)
InChIKeyUKKIUAIZAZPFIG-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.77
Rot. Bonds9

About 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide

4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide (PubChem CID 19356235) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide
PubChem CID19356235
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide
SMILESCC(C)N(CCNc1c(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C
InChIInChI=1S/C30H34N4O2/c1-21(2)33(22(3)4)20-19-31-28-25-17-11-12-18-26(25)34(24-15-9-6-10-16-24)30(36)27(28)29(35)32-23-13-7-5-8-14-23/h5-18,21-22,31H,19-20H2,1-4H3,(H,32,35)
InChIKeyUKKIUAIZAZPFIG-UHFFFAOYSA-N
XLogP5.77
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide 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

4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile
CID 19356220
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
4-(2-bromoethylamino)-2-oxo-1-phenylquinoline-3-carboxylic acid
CID 140992885
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731614
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide (CID 19356235) is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide is CC(C)N(CCNc1c(C(=O)Nc2ccccc2)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide?
The InChIKey is UKKIUAIZAZPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-21(2)33(22(3)4)20-19-31-28-25-17-11-12-18-26(25)34(24-15-9-6-10-16-24)30(36)27(28)29(35)32-23-13-7-5-8-14-23/h5-18,21-22,31H,19-20H2,1-4H3,(H,32,35).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide?
4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide is sourced from PubChem (CID 19356235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).