4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C26H27FN4O2 — CID 72720568

IUPAC4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc(-c4ccc5nccnc5c4)cc3F)CC2)CN1C1CC1
InChIInChI=1S/C26H27FN4O2/c27-22-13-18(19-3-6-23-24(14-19)29-10-9-28-23)1-2-20(22)15-30-11-7-26(8-12-30)17-31(21-4-5-21)25(32)16-33-26/h1-3,6,9-10,13-14,21H,4-5,7-8,11-12,15-17H2
InChIKeyPWKHIVGJYJGKSH-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.79
Rot. Bonds4

About 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72720568) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID72720568
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccc(-c4ccc5nccnc5c4)cc3F)CC2)CN1C1CC1
InChIInChI=1S/C26H27FN4O2/c27-22-13-18(19-3-6-23-24(14-19)29-10-9-28-23)1-2-20(22)15-30-11-7-26(8-12-30)17-31(21-4-5-21)25(32)16-33-26/h1-3,6,9-10,13-14,21H,4-5,7-8,11-12,15-17H2
InChIKeyPWKHIVGJYJGKSH-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 72720568) is 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccc(-c4ccc5nccnc5c4)cc3F)CC2)CN1C1CC1.
What is the InChIKey of 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PWKHIVGJYJGKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-22-13-18(19-3-6-23-24(14-19)29-10-9-28-23)1-2-20(22)15-30-11-7-26(8-12-30)17-31(21-4-5-21)25(32)16-33-26/h1-3,6,9-10,13-14,21H,4-5,7-8,11-12,15-17H2.
What are the key properties of 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 446.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-9-[(2-fluoro-4-quinoxalin-6-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72720568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).