(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide

C30H37FN4O3 — CID 162506722

IUPAC(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCNCC2)c1ncc(-c2cc3ccc(C)nc3cc2F)o1
InChIInChI=1S/C30H37FN4O3/c1-3-21(36)7-5-4-6-8-25(35-28(37)23-17-30(23)11-13-32-14-12-30)29-33-18-27(38-29)22-15-20-10-9-19(2)34-26(20)16-24(22)31/h9-10,15-16,18,23,25,32H,3-8,11-14,17H2,1-2H3,(H,35,37)/t23-,25+/m1/s1
InChIKeyAHFLDRZVJHRTTD-NOZRDPDXSA-N
MW520.65 g/mol
LogP5.81
Rot. Bonds11

About (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 162506722) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID162506722
Molecular FormulaC30H37FN4O3
Molecular Weight520.65 g/mol
Exact Mass520.28
IUPAC Name(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCNCC2)c1ncc(-c2cc3ccc(C)nc3cc2F)o1
InChIInChI=1S/C30H37FN4O3/c1-3-21(36)7-5-4-6-8-25(35-28(37)23-17-30(23)11-13-32-14-12-30)29-33-18-27(38-29)22-15-20-10-9-19(2)34-26(20)16-24(22)31/h9-10,15-16,18,23,25,32H,3-8,11-14,17H2,1-2H3,(H,35,37)/t23-,25+/m1/s1
InChIKeyAHFLDRZVJHRTTD-NOZRDPDXSA-N
XLogP5.81
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide 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 (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 162506722) is (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCNCC2)c1ncc(-c2cc3ccc(C)nc3cc2F)o1.
What is the InChIKey of (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is AHFLDRZVJHRTTD-NOZRDPDXSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-3-21(36)7-5-4-6-8-25(35-28(37)23-17-30(23)11-13-32-14-12-30)29-33-18-27(38-29)22-15-20-10-9-19(2)34-26(20)16-24(22)31/h9-10,15-16,18,23,25,32H,3-8,11-14,17H2,1-2H3,(H,35,37)/t23-,25+/m1/s1.
What are the key properties of (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 520.65 g/mol, XLogP of 5.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 162506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).