4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C22H30N4O4 — CID 118735891

IUPAC4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C22H30N4O4/c1-15-4-6-16(7-5-15)24-21(28)18-19(27)17-3-2-8-23-20(17)26(22(18)29)10-9-25-11-13-30-14-12-25/h2-3,8,15-16,27H,4-7,9-14H2,1H3,(H,24,28)
InChIKeyJJXFSLXZUQOSJB-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.74
Rot. Bonds5

About 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118735891) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118735891
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)CC1
InChIInChI=1S/C22H30N4O4/c1-15-4-6-16(7-5-15)24-21(28)18-19(27)17-3-2-8-23-20(17)26(22(18)29)10-9-25-11-13-30-14-12-25/h2-3,8,15-16,27H,4-7,9-14H2,1H3,(H,24,28)
InChIKeyJJXFSLXZUQOSJB-UHFFFAOYSA-N
XLogP1.74
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118735891) is 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCOCC3)c2=O)CC1.
What is the InChIKey of 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JJXFSLXZUQOSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15-4-6-16(7-5-15)24-21(28)18-19(27)17-3-2-8-23-20(17)26(22(18)29)10-9-25-11-13-30-14-12-25/h2-3,8,15-16,27H,4-7,9-14H2,1H3,(H,24,28).
What are the key properties of 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118735891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).