4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile

C21H20N4 — CID 130458537

IUPAC4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile
SMILESC=Cc1cccc(Nc2c(C#N)cnc3cc(C)c(NCC)cc23)c1
InChIInChI=1S/C21H20N4/c1-4-15-7-6-8-17(10-15)25-21-16(12-22)13-24-20-9-14(3)19(23-5-2)11-18(20)21/h4,6-11,13,23H,1,5H2,2-3H3,(H,24,25)
InChIKeyQHYBKUADWVPGKD-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.23
Rot. Bonds5

About 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile

4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile (PubChem CID 130458537) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile
PubChem CID130458537
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile
SMILESC=Cc1cccc(Nc2c(C#N)cnc3cc(C)c(NCC)cc23)c1
InChIInChI=1S/C21H20N4/c1-4-15-7-6-8-17(10-15)25-21-16(12-22)13-24-20-9-14(3)19(23-5-2)11-18(20)21/h4,6-11,13,23H,1,5H2,2-3H3,(H,24,25)
InChIKeyQHYBKUADWVPGKD-UHFFFAOYSA-N
XLogP5.23
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
CID 149098326
7-cyclopentyloxy-6-[[(3E)-5-(diethylamino)penta-1,3-dien-2-yl]amino]-4-(3-ethenylanilino)quinoline-3-carbonitrile
CID 130458534
6-[[(3E)-5-(dimethylamino)penta-1,3-dien-2-yl]amino]-4-(3-ethenylanilino)-7-(oxolan-3-ylmethyl)quinoline-3-carbonitrile
CID 146258634
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
N-[3-cyano-4-[3-(dimethylamino)anilino]quinolin-6-yl]prop-2-enamide
CID 22466730
(E)-N-[3-cyano-4-(3-ethenylanilino)-7-[(3S)-oxolan-3-yl]oxyquinolin-6-yl]-4-(diethylamino)-N-methylbut-2-enamide
CID 130312690
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile?
The IUPAC name of 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile (CID 130458537) is 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile?
The canonical SMILES for 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile is C=Cc1cccc(Nc2c(C#N)cnc3cc(C)c(NCC)cc23)c1.
What is the InChIKey of 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile?
The InChIKey is QHYBKUADWVPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-4-15-7-6-8-17(10-15)25-21-16(12-22)13-24-20-9-14(3)19(23-5-2)11-18(20)21/h4,6-11,13,23H,1,5H2,2-3H3,(H,24,25).
What are the key properties of 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile?
4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenylanilino)-6-(ethylamino)-7-methylquinoline-3-carbonitrile is sourced from PubChem (CID 130458537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).