6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

C28H32N4O5 — CID 166831308

IUPAC6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CC4(COC4)C2)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O5/c1-35-23-4-2-19(3-5-23)21-12-20-13-24(26(33)30-22-14-28(15-22)17-37-18-28)27(34)32(25(20)29-16-21)7-6-31-8-10-36-11-9-31/h2-5,12-13,16,22H,6-11,14-15,17-18H2,1H3,(H,30,33)
InChIKeyNOGIEYWQAWBQSR-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.31
Rot. Bonds7

About 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide

6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831308) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831308
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CC4(COC4)C2)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C28H32N4O5/c1-35-23-4-2-19(3-5-23)21-12-20-13-24(26(33)30-22-14-28(15-22)17-37-18-28)27(34)32(25(20)29-16-21)7-6-31-8-10-36-11-9-31/h2-5,12-13,16,22H,6-11,14-15,17-18H2,1H3,(H,30,33)
InChIKeyNOGIEYWQAWBQSR-UHFFFAOYSA-N
XLogP2.31
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831308) is 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2cnc3c(c2)cc(C(=O)NC2CC4(COC4)C2)c(=O)n3CCN2CCOCC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NOGIEYWQAWBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-35-23-4-2-19(3-5-23)21-12-20-13-24(26(33)30-22-14-28(15-22)17-37-18-28)27(34)32(25(20)29-16-21)7-6-31-8-10-36-11-9-31/h2-5,12-13,16,22H,6-11,14-15,17-18H2,1H3,(H,30,33).
What are the key properties of 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).