8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide

C34H40ClFN4O3 — CID 169241089

About 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide

8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide (PubChem CID 169241089) has the molecular formula C34H40ClFN4O3 and a molecular weight of 607.17 g/mol. Its IUPAC name is 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide.

Molecular Properties

• Compound Name: 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide
• PubChem CID: 169241089
• Molecular Formula: C34H40ClFN4O3
• Molecular Weight: 607.17 g/mol
• Exact Mass: 606.28
• IUPAC Name: 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide
• SMILES: COCC(C)c1cc(C(CNC=O)C2CC2)nc(-c2ccc(F)cc2)c1C.Cc1cnc2c(Cl)cc(C)cc2c1.NC=O
• InChI: InChI=1S/C22H27FN2O2.C11H10ClN.CH3NO/c1-14(12-27-3)19-10-21(20(11-24-13-26)16-4-5-16)25-22(15(19)2)17-6-8-18(23)9-7-17;1-7-3-9-4-8(2)6-13-11(9)10(12)5-7;2-1-3/h6-10,13-14,16,20H,4-5,11-12H2,1-3H3,(H,24,26);3-6H,1-2H3;1H,(H2,2,3)
• InChIKey: ABOTYBYCLPRGEX-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.17
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide?

The IUPAC name of 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide (CID 169241089) is 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide.

What is the SMILES notation for 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide?

The canonical SMILES for 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide is COCC(C)c1cc(C(CNC=O)C2CC2)nc(-c2ccc(F)cc2)c1C.Cc1cnc2c(Cl)cc(C)cc2c1.NC=O.

What is the InChIKey of 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide?

The InChIKey is ABOTYBYCLPRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2.C11H10ClN.CH3NO/c1-14(12-27-3)19-10-21(20(11-24-13-26)16-4-5-16)25-22(15(19)2)17-6-8-18(23)9-7-17;1-7-3-9-4-8(2)6-13-11(9)10(12)5-7;2-1-3/h6-10,13-14,16,20H,4-5,11-12H2,1-3H3,(H,24,26);3-6H,1-2H3;1H,(H2,2,3).

What are the key properties of 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide?

8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide has a molecular weight of 607.17 g/mol, XLogP of 6.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3,6-dimethylquinoline;N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide;formamide is sourced from PubChem (CID 169241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).