6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide

C19H20BrN3O4 — CID 166358857

About 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide

6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide (PubChem CID 166358857) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide
• PubChem CID: 166358857
• Molecular Formula: C19H20BrN3O4
• Molecular Weight: 434.29 g/mol
• Exact Mass: 433.06
• IUPAC Name: 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide
• SMILES: O=C(NCC1CC2(CCNCC2)C(=O)O1)c1c[nH]c2ccc(Br)cc2c1=O
• InChI: InChI=1S/C19H20BrN3O4/c20-11-1-2-15-13(7-11)16(24)14(10-22-15)17(25)23-9-12-8-19(18(26)27-12)3-5-21-6-4-19/h1-2,7,10,12,21H,3-6,8-9H2,(H,22,24)(H,23,25)
• InChIKey: GAUMINDLMFFPLX-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 100.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.29
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide?

The IUPAC name of 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide (CID 166358857) is 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide.

What is the SMILES notation for 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide?

The canonical SMILES for 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide is O=C(NCC1CC2(CCNCC2)C(=O)O1)c1c[nH]c2ccc(Br)cc2c1=O.

What is the InChIKey of 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide?

The InChIKey is GAUMINDLMFFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c20-11-1-2-15-13(7-11)16(24)14(10-22-15)17(25)23-9-12-8-19(18(26)27-12)3-5-21-6-4-19/h1-2,7,10,12,21H,3-6,8-9H2,(H,22,24)(H,23,25).

What are the key properties of 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide?

6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 166358857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).