2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile

C20H19N3O — CID 91741694

IUPAC2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile
SMILESCCN(CC)c1ccc(-c2[nH]c3ccccc3c(=O)c2C#N)cc1
InChIInChI=1S/C20H19N3O/c1-3-23(4-2)15-11-9-14(10-12-15)19-17(13-21)20(24)16-7-5-6-8-18(16)22-19/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyKVIPFEGPEPXTCS-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile

2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile (PubChem CID 91741694) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile
PubChem CID91741694
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile
SMILESCCN(CC)c1ccc(-c2[nH]c3ccccc3c(=O)c2C#N)cc1
InChIInChI=1S/C20H19N3O/c1-3-23(4-2)15-11-9-14(10-12-15)19-17(13-21)20(24)16-7-5-6-8-18(16)22-19/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyKVIPFEGPEPXTCS-UHFFFAOYSA-N
XLogP3.91
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513
4-oxo-2-(3,4,5-trimethoxyphenyl)-1H-quinoline-3-carbonitrile
CID 166439451
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767
2-[4-(2-hydroxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
CID 57391317
2-[4-(diethylamino)phenyl]-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139229665
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126544781
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
3-methyl-1H-indole-2-carbonitrile
CID 593371
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197
10H-acridin-9-one;ethane
CID 91525380
3-iodo-1H-indole-2-carbonitrile
CID 11043753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile (CID 91741694) is 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile is CCN(CC)c1ccc(-c2[nH]c3ccccc3c(=O)c2C#N)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is KVIPFEGPEPXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-23(4-2)15-11-9-14(10-12-15)19-17(13-21)20(24)16-7-5-6-8-18(16)22-19/h5-12H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile?
2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 91741694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).