3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile

C23H19N3O — CID 59393176

IUPAC3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc2ccc(C(C)(C#N)C3CCc4ccc(C#N)cc43)cc2[nH]c1=O
InChIInChI=1S/C23H19N3O/c1-14-9-17-5-7-18(11-21(17)26-22(14)27)23(2,13-25)20-8-6-16-4-3-15(12-24)10-19(16)20/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,26,27)
InChIKeyUXUPRHPTVASUDG-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.22
Rot. Bonds2

About 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile

3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 59393176) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID59393176
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc2ccc(C(C)(C#N)C3CCc4ccc(C#N)cc43)cc2[nH]c1=O
InChIInChI=1S/C23H19N3O/c1-14-9-17-5-7-18(11-21(17)26-22(14)27)23(2,13-25)20-8-6-16-4-3-15(12-24)10-19(16)20/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,26,27)
InChIKeyUXUPRHPTVASUDG-UHFFFAOYSA-N
XLogP4.22
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

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Related Compounds

4-tert-butyl-N-(2-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896324
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2-(3-methyl-2-oxo-1H-quinolin-6-yl)-2-phenylpropanenitrile
CID 44387705
2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylidene]propanedinitrile
CID 864977
N-(1,2-dihydro-5-acenaphthylenyl)-2-methylpropanamide
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N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide
CID 884076
N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide
CID 46230719
(2E)-2-cyano-N-(2,5-dimethylphenyl)-3-[4-(propan-2-yl)phenyl]prop-2-enamide
CID 698847
4-(4-methylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126509815
(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide
CID 51039322
Desmethyl-6,8,10-triene Dutasteride
CID 24794608
N-(3,5-dimethylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)acetamide
CID 3850125

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile (CID 59393176) is 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cc2ccc(C(C)(C#N)C3CCc4ccc(C#N)cc43)cc2[nH]c1=O.
What is the InChIKey of 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is UXUPRHPTVASUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-14-9-17-5-7-18(11-21(17)26-22(14)27)23(2,13-25)20-8-6-16-4-3-15(12-24)10-19(16)20/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,26,27).
What are the key properties of 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile?
3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyano-1-(3-methyl-2-oxo-1H-quinolin-7-yl)ethyl]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 59393176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).