4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile

C24H28N4O — CID 19356220

IUPAC4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile
SMILESCC(C)N(CCNc1c(C#N)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C
InChIInChI=1S/C24H28N4O/c1-17(2)27(18(3)4)15-14-26-23-20-12-8-9-13-22(20)28(24(29)21(23)16-25)19-10-6-5-7-11-19/h5-13,17-18,26H,14-15H2,1-4H3
InChIKeyJBUXETRILWLUQF-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.39
Rot. Bonds7

About 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile

4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile (PubChem CID 19356220) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile
PubChem CID19356220
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile
SMILESCC(C)N(CCNc1c(C#N)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C
InChIInChI=1S/C24H28N4O/c1-17(2)27(18(3)4)15-14-26-23-20-12-8-9-13-22(20)28(24(29)21(23)16-25)19-10-6-5-7-11-19/h5-13,17-18,26H,14-15H2,1-4H3
InChIKeyJBUXETRILWLUQF-UHFFFAOYSA-N
XLogP4.39
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-N,1-diphenylquinoline-3-carboxamide
CID 19356235
4-(2-bromoethylamino)-2-oxo-1-phenylquinoline-3-carboxylic acid
CID 140992885
4-[3-(dimethylamino)propylamino]-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752614
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
4-[2-(azepan-1-yl)ethylamino]-3-nitro-1-phenylquinolin-2-one
CID 2919974
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
CID 131848680
3-butyl-4-chloro-1-phenylquinolin-2-one
CID 139216420

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile (CID 19356220) is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile is CC(C)N(CCNc1c(C#N)c(=O)n(-c2ccccc2)c2ccccc12)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile?
The InChIKey is JBUXETRILWLUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)27(18(3)4)15-14-26-23-20-12-8-9-13-22(20)28(24(29)21(23)16-25)19-10-6-5-7-11-19/h5-13,17-18,26H,14-15H2,1-4H3.
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile?
4-[2-[di(propan-2-yl)amino]ethylamino]-2-oxo-1-phenylquinoline-3-carbonitrile has a molecular weight of 388.52 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 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-1-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 19356220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).