6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline

C35H31F3N4O3 — CID 178065639

About 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline

6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline (PubChem CID 178065639) has the molecular formula C35H31F3N4O3 and a molecular weight of 612.65 g/mol. Its IUPAC name is 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline.

Molecular Properties

• Compound Name: 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline
• PubChem CID: 178065639
• Molecular Formula: C35H31F3N4O3
• Molecular Weight: 612.65 g/mol
• Exact Mass: 612.23
• IUPAC Name: 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline
• SMILES: C#Cc1c(F)ccc2cccc(-c3c(F)c4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc(N5CCOCC5)c4c4cc(C)oc34)c12
• InChI: InChI=1S/C35H31F3N4O3/c1-3-23-26(37)9-8-21-6-4-7-24(27(21)23)28-30(38)31-29(25-16-20(2)45-32(25)28)33(41-12-14-43-15-13-41)40-34(39-31)44-19-35-10-5-11-42(35)18-22(36)17-35/h1,4,6-9,16,22H,5,10-15,17-19H2,2H3/t22-,35+/m1/s1
• InChIKey: AOVHQYSETAKSAV-DGOBPVDHSA-N
• XLogP: 6.56
• TPSA: 63.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.65
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline?

The IUPAC name of 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline (CID 178065639) is 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline.

What is the SMILES notation for 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline?

The canonical SMILES for 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline is C#Cc1c(F)ccc2cccc(-c3c(F)c4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc(N5CCOCC5)c4c4cc(C)oc34)c12.

What is the InChIKey of 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline?

The InChIKey is AOVHQYSETAKSAV-DGOBPVDHSA-N. The full InChI is InChI=1S/C35H31F3N4O3/c1-3-23-26(37)9-8-21-6-4-7-24(27(21)23)28-30(38)31-29(25-16-20(2)45-32(25)28)33(41-12-14-43-15-13-41)40-34(39-31)44-19-35-10-5-11-42(35)18-22(36)17-35/h1,4,6-9,16,22H,5,10-15,17-19H2,2H3/t22-,35+/m1/s1.

What are the key properties of 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline?

6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline has a molecular weight of 612.65 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-ethynyl-7-fluoronaphthalen-1-yl)-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-1-morpholin-4-ylfuro[3,2-f]quinazoline is sourced from PubChem (CID 178065639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).