(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile

C12H11N3O — CID 51802119

IUPAC(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile
SMILESC[C@@H]1CCc2[nH]c(=O)c(C#N)c(C#N)c2C1
InChIInChI=1S/C12H11N3O/c1-7-2-3-11-8(4-7)9(5-13)10(6-14)12(16)15-11/h7H,2-4H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyWEVHQPWPTNEESX-SSDOTTSWSA-N
MW213.24 g/mol
LogP1.24
Rot. Bonds

About (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile

(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile (PubChem CID 51802119) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile.

Molecular Properties

Compound Name(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile
PubChem CID51802119
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile
SMILESC[C@@H]1CCc2[nH]c(=O)c(C#N)c(C#N)c2C1
InChIInChI=1S/C12H11N3O/c1-7-2-3-11-8(4-7)9(5-13)10(6-14)12(16)15-11/h7H,2-4H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyWEVHQPWPTNEESX-SSDOTTSWSA-N
XLogP1.24
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile with MolForge

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Related Compounds

4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 118589308
(7R)-7-methyl-3-oxo-1-phenyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 99804668
6-methyl-3,8-dioxo-2,5,6,7-tetrahydroisoquinoline-4-carbonitrile
CID 66490007
N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66494953
3-ethyl-7-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82111896
4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82087393
(7R)-7-methyl-1-phenyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 99805297
N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide
CID 899066
N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide
CID 7091987
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035
(1S,5S,6S,9S,13R)-6-hydroxy-1,5-dimethyl-17-oxo-16-azapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15(20),18-diene-18,19-dicarbonitrile
CID 163074385
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclohexanecarboxamide
CID 3417750

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile?
The IUPAC name of (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile (CID 51802119) is (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile.
What is the SMILES notation for (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile?
The canonical SMILES for (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile is C[C@@H]1CCc2[nH]c(=O)c(C#N)c(C#N)c2C1.
What is the InChIKey of (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile?
The InChIKey is WEVHQPWPTNEESX-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-2-3-11-8(4-7)9(5-13)10(6-14)12(16)15-11/h7H,2-4H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile?
(6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile is sourced from PubChem (CID 51802119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).