1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H36N2O — CID 159146282

About 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 159146282) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• PubChem CID: 159146282
• Molecular Formula: C24H36N2O
• Molecular Weight: 368.57 g/mol
• Exact Mass: 368.28
• IUPAC Name: 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
• SMILES: CC(=O)N1c2ccccc2C(NC2CCC(=C(C)C(C)C)CC2)C(C)C1C
• InChI: InChI=1S/C24H36N2O/c1-15(2)16(3)20-11-13-21(14-12-20)25-24-17(4)18(5)26(19(6)27)23-10-8-7-9-22(23)24/h7-10,15,17-18,21,24-25H,11-14H2,1-6H3/b20-16-
• InChIKey: NBLKCOYYAJTWFN-SILNSSARSA-N
• XLogP: 5.62
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.57
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The IUPAC name of 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 159146282) is 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

What is the SMILES notation for 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The canonical SMILES for 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccccc2C(NC2CCC(=C(C)C(C)C)CC2)C(C)C1C.

What is the InChIKey of 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

The InChIKey is NBLKCOYYAJTWFN-SILNSSARSA-N. The full InChI is InChI=1S/C24H36N2O/c1-15(2)16(3)20-11-13-21(14-12-20)25-24-17(4)18(5)26(19(6)27)23-10-8-7-9-22(23)24/h7-10,15,17-18,21,24-25H,11-14H2,1-6H3/b20-16-.

What are the key properties of 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?

1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 368.57 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,3-dimethyl-4-[[4-(3-methylbutan-2-ylidene)cyclohexyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 159146282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).