5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol

C35H37F3N4O3 — CID 169126554

IUPAC5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C35H37F3N4O3/c1-2-24-28(37)8-5-21-15-23(43)16-27(29(21)24)25-6-7-26-31(30(25)38)39-33(44-20-34-9-3-13-42(34)18-22(36)17-34)40-32(26)41-12-4-10-35(19-41)11-14-45-35/h5-8,15-16,22,43H,2-4,9-14,17-20H2,1H3/t22-,34+,35?/m1/s1
InChIKeyHKPQLZJURBIBMJ-IPJKOCSASA-N
MW618.70 g/mol
LogP6.71
Rot. Bonds6

About 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol

5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol (PubChem CID 169126554) has the molecular formula C35H37F3N4O3 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol
PubChem CID169126554
Molecular FormulaC35H37F3N4O3
Molecular Weight618.70 g/mol
Exact Mass618.28
IUPAC Name5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C35H37F3N4O3/c1-2-24-28(37)8-5-21-15-23(43)16-27(29(21)24)25-6-7-26-31(30(25)38)39-33(44-20-34-9-3-13-42(34)18-22(36)17-34)40-32(26)41-12-4-10-35(19-41)11-14-45-35/h5-8,15-16,22,43H,2-4,9-14,17-20H2,1H3/t22-,34+,35?/m1/s1
InChIKeyHKPQLZJURBIBMJ-IPJKOCSASA-N
XLogP6.71
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol (CID 169126554) is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ccc4c(N5CCCC6(CCO6)C5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.
What is the InChIKey of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?
The InChIKey is HKPQLZJURBIBMJ-IPJKOCSASA-N. The full InChI is InChI=1S/C35H37F3N4O3/c1-2-24-28(37)8-5-21-15-23(43)16-27(29(21)24)25-6-7-26-31(30(25)38)39-33(44-20-34-9-3-13-42(34)18-22(36)17-34)40-32(26)41-12-4-10-35(19-41)11-14-45-35/h5-8,15-16,22,43H,2-4,9-14,17-20H2,1H3/t22-,34+,35?/m1/s1.
What are the key properties of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol?
5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 618.70 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(1-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 169126554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).