4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide

C19H17N3O2 — CID 18952439

IUPAC4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C19H17N3O2/c1-19(2)10-17(23)22-16-9-14(7-8-15(16)19)21-18(24)13-5-3-12(11-20)4-6-13/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHNBNUBNRPMORGN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.43
Rot. Bonds2

About 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide

4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide (PubChem CID 18952439) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
PubChem CID18952439
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
SMILESCC1(C)CC(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C19H17N3O2/c1-19(2)10-17(23)22-16-9-14(7-8-15(16)19)21-18(24)13-5-3-12(11-20)4-6-13/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHNBNUBNRPMORGN-UHFFFAOYSA-N
XLogP3.43
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3,4-dimethylbenzamide;ethane
CID 143219465
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-3,4-dimethylbenzamide;7-[1-(3,4-dimethylphenyl)ethenylamino]-4,4-dimethyl-1,3-dihydroquinolin-2-one;ethane
CID 143210981
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-3-prop-2-enoxybenzamide
CID 18952446
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)-3,4-dimethylbenzamide
CID 75361159
4-tert-butyl-N-(4,4-diethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952417
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 14476472
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
4-cyano-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 121005559
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-6-hydroxyhexanamide
CID 18952427
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
CID 18952407
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The IUPAC name of 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide (CID 18952439) is 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The canonical SMILES for 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide is CC1(C)CC(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
The InChIKey is HNBNUBNRPMORGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-19(2)10-17(23)22-16-9-14(7-8-15(16)19)21-18(24)13-5-3-12(11-20)4-6-13/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide?
4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide is sourced from PubChem (CID 18952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).