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

C28H32N4O5 — CID 175869762

IUPAC4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NC3CC4(COC4)C3)c(=O)n(CCN3CCOCC3)c3ncccc23)cc1
InChIInChI=1S/C28H32N4O5/c1-35-21-6-4-19(5-7-21)23-22-3-2-8-29-25(22)32(10-9-31-11-13-36-14-12-31)27(34)24(23)26(33)30-20-15-28(16-20)17-37-18-28/h2-8,20H,9-18H2,1H3,(H,30,33)
InChIKeyGZMUTXVODVKEOD-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.31
Rot. Bonds7

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

4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 175869762) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-(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 Name4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID175869762
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NC3CC4(COC4)C3)c(=O)n(CCN3CCOCC3)c3ncccc23)cc1
InChIInChI=1S/C28H32N4O5/c1-35-21-6-4-19(5-7-21)23-22-3-2-8-29-25(22)32(10-9-31-11-13-36-14-12-31)27(34)24(23)26(33)30-20-15-28(16-20)17-37-18-28/h2-8,20H,9-18H2,1H3,(H,30,33)
InChIKeyGZMUTXVODVKEOD-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 4-(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 4-(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 4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 175869762) is 4-(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 4-(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 4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2c(C(=O)NC3CC4(COC4)C3)c(=O)n(CCN3CCOCC3)c3ncccc23)cc1.
What is the InChIKey of 4-(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 GZMUTXVODVKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-35-21-6-4-19(5-7-21)23-22-3-2-8-29-25(22)32(10-9-31-11-13-36-14-12-31)27(34)24(23)26(33)30-20-15-28(16-20)17-37-18-28/h2-8,20H,9-18H2,1H3,(H,30,33).
What are the key properties of 4-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide?
4-(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 4-(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 175869762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).