(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one

C24H23FN4O3 — CID 92576569

IUPAC(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCN(C(=O)COc3ncnc4ccccc34)[C@@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C24H23FN4O3/c25-17-8-6-16(7-9-17)22-24(12-10-20(30)28-24)11-3-13-29(22)21(31)14-32-23-18-4-1-2-5-19(18)26-15-27-23/h1-2,4-9,15,22H,3,10-14H2,(H,28,30)/t22-,24+/m1/s1
InChIKeyCGGWWXFOJCEEIM-VWNXMTODSA-N
MW434.47 g/mol
LogP3.16
Rot. Bonds4

About (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 92576569) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID92576569
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CC[C@]2(CCCN(C(=O)COc3ncnc4ccccc34)[C@@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C24H23FN4O3/c25-17-8-6-16(7-9-17)22-24(12-10-20(30)28-24)11-3-13-29(22)21(31)14-32-23-18-4-1-2-5-19(18)26-15-27-23/h1-2,4-9,15,22H,3,10-14H2,(H,28,30)/t22-,24+/m1/s1
InChIKeyCGGWWXFOJCEEIM-VWNXMTODSA-N
XLogP3.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one (CID 92576569) is (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CC[C@]2(CCCN(C(=O)COc3ncnc4ccccc34)[C@@H]2c2ccc(F)cc2)N1.
What is the InChIKey of (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is CGGWWXFOJCEEIM-VWNXMTODSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-17-8-6-16(7-9-17)22-24(12-10-20(30)28-24)11-3-13-29(22)21(31)14-32-23-18-4-1-2-5-19(18)26-15-27-23/h1-2,4-9,15,22H,3,10-14H2,(H,28,30)/t22-,24+/m1/s1.
What are the key properties of (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 434.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-(4-fluorophenyl)-9-(2-quinazolin-4-yloxyacetyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 92576569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).