8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane

C₃₂H₃₇FN₄O₃ — CID 156718125

About 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane

8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane (PubChem CID 156718125) has the molecular formula C₃₂H₃₇FN₄O₃ and a molecular weight of 544.67 g/mol. Its IUPAC name is 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane.

Molecular Properties

• Compound Name: 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane
• PubChem CID: 156718125
• Molecular Formula: C₃₂H₃₇FN₄O₃
• Molecular Weight: 544.67 g/mol
• Exact Mass: 544.28
• IUPAC Name: 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane
• SMILES: C.CCO.CN(c1cc(C(=O)NCCc2cc3c(c(-c4ccc(F)cc4)n2)OCC3)cc2cccnc12)C1CC1
• InChI: InChI=1S/C29H27FN4O2.C2H6O.CH4/c1-34(24-8-9-24)25-17-21(15-19-3-2-12-31-26(19)25)29(35)32-13-10-23-16-20-11-14-36-28(20)27(33-23)18-4-6-22(30)7-5-18;1-2-3;/h2-7,12,15-17,24H,8-11,13-14H2,1H3,(H,32,35);3H,2H2,1H3;1H4
• InChIKey: ILKCUJWAANHALY-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.67
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane?

The IUPAC name of 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane (CID 156718125) is 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane.

What is the SMILES notation for 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane?

The canonical SMILES for 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane is C.CCO.CN(c1cc(C(=O)NCCc2cc3c(c(-c4ccc(F)cc4)n2)OCC3)cc2cccnc12)C1CC1.

What is the InChIKey of 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane?

The InChIKey is ILKCUJWAANHALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2.C2H6O.CH4/c1-34(24-8-9-24)25-17-21(15-19-3-2-12-31-26(19)25)29(35)32-13-10-23-16-20-11-14-36-28(20)27(33-23)18-4-6-22(30)7-5-18;1-2-3;/h2-7,12,15-17,24H,8-11,13-14H2,1H3,(H,32,35);3H,2H2,1H3;1H4.

What are the key properties of 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane?

8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane has a molecular weight of 544.67 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[cyclopropyl(methyl)amino]-N-[2-[7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]quinoline-6-carboxamide;ethanol;methane is sourced from PubChem (CID 156718125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156718125 — identifiers, structure, computed properties (public domain)

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