2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide

C31H31Cl2FN4O4 — CID 164910611

About 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide

2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide (PubChem CID 164910611) has the molecular formula C31H31Cl2FN4O4 and a molecular weight of 613.52 g/mol. Its IUPAC name is 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide
• PubChem CID: 164910611
• Molecular Formula: C31H31Cl2FN4O4
• Molecular Weight: 613.52 g/mol
• Exact Mass: 612.17
• IUPAC Name: 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide
• SMILES: CCCOc1cc(C(=O)NCCc2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C)cc2cc(C)c(Cl)nc12.NC=O
• InChI: InChI=1S/C30H28Cl2FN3O3.CH3NO/c1-4-9-38-25-13-20(11-19-10-16(2)29(32)36-26(19)25)30(37)34-8-7-21-14-22-17(3)15-39-28(22)27(35-21)18-5-6-24(33)23(31)12-18;2-1-3/h5-6,10-14,17H,4,7-9,15H2,1-3H3,(H,34,37);1H,(H2,2,3)
• InChIKey: CSQMDMHAGRXKSS-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.52
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide?

The IUPAC name of 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide (CID 164910611) is 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide.

What is the SMILES notation for 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide?

The canonical SMILES for 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide is CCCOc1cc(C(=O)NCCc2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C)cc2cc(C)c(Cl)nc12.NC=O.

What is the InChIKey of 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide?

The InChIKey is CSQMDMHAGRXKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2FN3O3.CH3NO/c1-4-9-38-25-13-20(11-19-10-16(2)29(32)36-26(19)25)30(37)34-8-7-21-14-22-17(3)15-39-28(22)27(35-21)18-5-6-24(33)23(31)12-18;2-1-3/h5-6,10-14,17H,4,7-9,15H2,1-3H3,(H,34,37);1H,(H2,2,3).

What are the key properties of 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide?

2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide has a molecular weight of 613.52 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-3-methyl-8-propoxyquinoline-6-carboxamide;formamide is sourced from PubChem (CID 164910611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).