3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile

C24H23N3O — CID 143487175

IUPAC3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile
SMILESC=C(C)CNC(=C)c1c(C)c2ccc(-c3cccc(C#N)c3)cc2n(C)c1=O
InChIInChI=1S/C24H23N3O/c1-15(2)14-26-17(4)23-16(3)21-10-9-20(12-22(21)27(5)24(23)28)19-8-6-7-18(11-19)13-25/h6-12,26H,1,4,14H2,2-3,5H3
InChIKeyNDIQVYUAGBSONL-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.52
Rot. Bonds5

About 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile

3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile (PubChem CID 143487175) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile.

Molecular Properties

Compound Name3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile
PubChem CID143487175
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile
SMILESC=C(C)CNC(=C)c1c(C)c2ccc(-c3cccc(C#N)c3)cc2n(C)c1=O
InChIInChI=1S/C24H23N3O/c1-15(2)14-26-17(4)23-16(3)21-10-9-20(12-22(21)27(5)24(23)28)19-8-6-7-18(11-19)13-25/h6-12,26H,1,4,14H2,2-3,5H3
InChIKeyNDIQVYUAGBSONL-UHFFFAOYSA-N
XLogP4.52
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297
3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218797
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
CID 175627262
3-(3,5-difluoro-4-methylphenyl)benzonitrile
CID 158541554
3-[4-[(3-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 71142060
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237
4-(3-cyanophenyl)-2,6-bis(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)benzonitrile
CID 149474992

Frequently Asked Questions

What is the IUPAC name of 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile?
The IUPAC name of 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile (CID 143487175) is 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile.
What is the SMILES notation for 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile?
The canonical SMILES for 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile is C=C(C)CNC(=C)c1c(C)c2ccc(-c3cccc(C#N)c3)cc2n(C)c1=O.
What is the InChIKey of 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile?
The InChIKey is NDIQVYUAGBSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15(2)14-26-17(4)23-16(3)21-10-9-20(12-22(21)27(5)24(23)28)19-8-6-7-18(11-19)13-25/h6-12,26H,1,4,14H2,2-3,5H3.
What are the key properties of 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile?
3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,4-dimethyl-3-[1-(2-methylprop-2-enylamino)ethenyl]-2-oxoquinolin-7-yl]benzonitrile is sourced from PubChem (CID 143487175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).