1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile

C24H19N3O — CID 150524428

IUPAC1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile
SMILESCCn1c(=O)c(C#N)cc2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C24H19N3O/c1-2-26-23-16-22(14-13-18(23)15-19(17-25)24(26)28)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,2H2,1H3
InChIKeyICMXDNHXVAVRLD-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.36
Rot. Bonds4

About 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile

1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile (PubChem CID 150524428) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile
PubChem CID150524428
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile
SMILESCCn1c(=O)c(C#N)cc2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C24H19N3O/c1-2-26-23-16-22(14-13-18(23)15-19(17-25)24(26)28)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,2H2,1H3
InChIKeyICMXDNHXVAVRLD-UHFFFAOYSA-N
XLogP5.36
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-(N-[3-(N-[2-cyano-5-(N-phenylanilino)phenyl]anilino)phenyl]anilino)-4-(N-phenylanilino)benzonitrile
CID 157175807
3-ethyl-4-oxoquinazoline-2-carbonitrile
CID 10655605
4-(N-(7-methylpyren-2-yl)anilino)benzonitrile
CID 90308046
4-(N-[17-(N-(4-cyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]anilino)benzonitrile
CID 146497317
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
9-N,23-N-bis(9-ethylcarbazol-3-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360415
2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
CID 167175620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile?
The IUPAC name of 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile (CID 150524428) is 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile is CCn1c(=O)c(C#N)cc2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile?
The InChIKey is ICMXDNHXVAVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-2-26-23-16-22(14-13-18(23)15-19(17-25)24(26)28)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,2H2,1H3.
What are the key properties of 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile?
1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-7-(N-phenylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 150524428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).