2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide

C28H29FN4O3 — CID 71270757

IUPAC2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide
SMILESNC(=O)C(c1ccc(-c2cccc3ncccc23)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C28H29FN4O3/c29-23-15-18(20-3-1-5-24-21(20)4-2-12-31-24)6-9-22(23)26(27(30)35)32-13-10-28(11-14-32)17-33(19-7-8-19)25(34)16-36-28/h1-6,9,12,15,19,26H,7-8,10-11,13-14,16-17H2,(H2,30,35)
InChIKeyBFGRGNWRXJWRGL-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide

2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide (PubChem CID 71270757) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide
PubChem CID71270757
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide
SMILESNC(=O)C(c1ccc(-c2cccc3ncccc23)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C28H29FN4O3/c29-23-15-18(20-3-1-5-24-21(20)4-2-12-31-24)6-9-22(23)26(27(30)35)32-13-10-28(11-14-32)17-33(19-7-8-19)25(34)16-36-28/h1-6,9,12,15,19,26H,7-8,10-11,13-14,16-17H2,(H2,30,35)
InChIKeyBFGRGNWRXJWRGL-UHFFFAOYSA-N
XLogP3.42
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide (CID 71270757) is 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide is NC(=O)C(c1ccc(-c2cccc3ncccc23)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2.
What is the InChIKey of 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide?
The InChIKey is BFGRGNWRXJWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3/c29-23-15-18(20-3-1-5-24-21(20)4-2-12-31-24)6-9-22(23)26(27(30)35)32-13-10-28(11-14-32)17-33(19-7-8-19)25(34)16-36-28/h1-6,9,12,15,19,26H,7-8,10-11,13-14,16-17H2,(H2,30,35).
What are the key properties of 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide?
2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide has a molecular weight of 488.56 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-5-ylphenyl)acetamide is sourced from PubChem (CID 71270757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).