7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione

C16H22N2O2 — CID 167438602

IUPAC7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESO=C1NC(CCC2CCCCC2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C16H22N2O2/c19-15-9-8-13-14(18-15)10-12(17-16(13)20)7-6-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2,(H,17,20)(H,18,19)
InChIKeyCQEAVJYNJCNKTE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.39
Rot. Bonds3

About 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione

7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione (PubChem CID 167438602) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
PubChem CID167438602
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESO=C1NC(CCC2CCCCC2)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C16H22N2O2/c19-15-9-8-13-14(18-15)10-12(17-16(13)20)7-6-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2,(H,17,20)(H,18,19)
InChIKeyCQEAVJYNJCNKTE-UHFFFAOYSA-N
XLogP2.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione (CID 167438602) is 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione is O=C1NC(CCC2CCCCC2)Cc2[nH]c(=O)ccc21.
What is the InChIKey of 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The InChIKey is CQEAVJYNJCNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-9-8-13-14(18-15)10-12(17-16(13)20)7-6-11-4-2-1-3-5-11/h8-9,11-12H,1-7,10H2,(H,17,20)(H,18,19).
What are the key properties of 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 167438602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).