1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile

C17H19N3 — CID 8831781

IUPAC1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile
SMILESCN1c2ccccc2CC(C#N)(C#N)C12CCCCC2
InChIInChI=1S/C17H19N3/c1-20-15-8-4-3-7-14(15)11-16(12-18,13-19)17(20)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyCKTFENOOMZVHNX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.42
Rot. Bonds

About 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile

1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile (PubChem CID 8831781) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile.

Molecular Properties

Compound Name1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile
PubChem CID8831781
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile
SMILESCN1c2ccccc2CC(C#N)(C#N)C12CCCCC2
InChIInChI=1S/C17H19N3/c1-20-15-8-4-3-7-14(15)11-16(12-18,13-19)17(20)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyCKTFENOOMZVHNX-UHFFFAOYSA-N
XLogP3.42
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-methyl-3-(4-methylphenyl)sulfonylspiro[4H-quinoline-2,1'-cyclohexane]-3-carbonitrile
CID 8892527
1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclooctane-1-carbonitrile
CID 80603084
1-methyl-2-phenyl-3H-indol-2-amine
CID 57294965
1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 11064422
(4aS)-1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 40921499
1-methylspiro[3H-indole-2,10'-9H-phenanthrene]
CID 10447353
1-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carbonitrile
CID 63378040
12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene
CID 135013836
1-methyl-2-[1-(1-methyl-2-phenyl-3H-indol-2-yl)ethenyl]-2-phenyl-3H-indole
CID 57238866
1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
CID 10330820
(3aS)-3a-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]indole
CID 129305590
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 18630970

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile?
The IUPAC name of 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile (CID 8831781) is 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile.
What is the SMILES notation for 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile?
The canonical SMILES for 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile is CN1c2ccccc2CC(C#N)(C#N)C12CCCCC2.
What is the InChIKey of 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile?
The InChIKey is CKTFENOOMZVHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-15-8-4-3-7-14(15)11-16(12-18,13-19)17(20)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile?
1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile is sourced from PubChem (CID 8831781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).