1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

C24H24N4O4 — CID 110219417

IUPAC1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESCCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H24N4O4/c1-3-27-13-18(20(29)17-10-9-15(2)25-21(17)27)23(31)28-12-6-11-24(14-28)26-22(30)16-7-4-5-8-19(16)32-24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,26,30)
InChIKeyXJWMUMOJZSHHMX-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.48
Rot. Bonds2

About 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (PubChem CID 110219417) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
PubChem CID110219417
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESCCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H24N4O4/c1-3-27-13-18(20(29)17-10-9-15(2)25-21(17)27)23(31)28-12-6-11-24(14-28)26-22(30)16-7-4-5-8-19(16)32-24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,26,30)
InChIKeyXJWMUMOJZSHHMX-UHFFFAOYSA-N
XLogP2.48
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The IUPAC name of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (CID 110219417) is 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The canonical SMILES for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is CCn1cc(C(=O)N2CCCC3(C2)NC(=O)c2ccccc2O3)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The InChIKey is XJWMUMOJZSHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-27-13-18(20(29)17-10-9-15(2)25-21(17)27)23(31)28-12-6-11-24(14-28)26-22(30)16-7-4-5-8-19(16)32-24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,26,30).
What are the key properties of 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one has a molecular weight of 432.48 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is sourced from PubChem (CID 110219417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).