4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile

C20H18N2 — CID 17241688

IUPAC4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
SMILESCc1ccccc1C1Nc2ccc(C#N)cc2C2C=CCC21
InChIInChI=1S/C20H18N2/c1-13-5-2-3-6-15(13)20-17-8-4-7-16(17)18-11-14(12-21)9-10-19(18)22-20/h2-7,9-11,16-17,20,22H,8H2,1H3
InChIKeyGTYWVCPADWQSBI-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.69
Rot. Bonds1

About 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile

4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile (PubChem CID 17241688) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
PubChem CID17241688
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
SMILESCc1ccccc1C1Nc2ccc(C#N)cc2C2C=CCC21
InChIInChI=1S/C20H18N2/c1-13-5-2-3-6-15(13)20-17-8-4-7-16(17)18-11-14(12-21)9-10-19(18)22-20/h2-7,9-11,16-17,20,22H,8H2,1H3
InChIKeyGTYWVCPADWQSBI-UHFFFAOYSA-N
XLogP4.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17237885
4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-ol
CID 17241669
4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17243637
4-(2-methylphenyl)-8-(2-phenoxyethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241778
4-(2,4-dihydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17236721
4-[(3aS,4R,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzonitrile
CID 7305157
8-(2-ethoxyethoxy)-4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241788
4-(3-hydroxy-4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17237716
4-(2-methylphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17241738
(3aS,4S,9bR)-4-(2-fluorophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126158255
(3aS,4R,9bR)-8-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26095596
4-(2-methylphenyl)-N-(2-phenylethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17241674

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The IUPAC name of 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile (CID 17241688) is 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The canonical SMILES for 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile is Cc1ccccc1C1Nc2ccc(C#N)cc2C2C=CCC21.
What is the InChIKey of 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The InChIKey is GTYWVCPADWQSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-13-5-2-3-6-15(13)20-17-8-4-7-16(17)18-11-14(12-21)9-10-19(18)22-20/h2-7,9-11,16-17,20,22H,8H2,1H3.
What are the key properties of 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile is sourced from PubChem (CID 17241688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).