7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

C15H22N2O — CID 167438515

IUPAC7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CC(CC1CCCCC1)NC2
InChIInChI=1S/C15H22N2O/c18-15-7-6-12-10-16-13(9-14(12)17-15)8-11-4-2-1-3-5-11/h6-7,11,13,16H,1-5,8-10H2,(H,17,18)
InChIKeyMRTWKAPQYNHWEJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.36
Rot. Bonds2

About 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 167438515) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID167438515
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CC(CC1CCCCC1)NC2
InChIInChI=1S/C15H22N2O/c18-15-7-6-12-10-16-13(9-14(12)17-15)8-11-4-2-1-3-5-11/h6-7,11,13,16H,1-5,8-10H2,(H,17,18)
InChIKeyMRTWKAPQYNHWEJ-UHFFFAOYSA-N
XLogP2.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 167438515) is 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is O=c1ccc2c([nH]1)CC(CC1CCCCC1)NC2.
What is the InChIKey of 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is MRTWKAPQYNHWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-7-6-12-10-16-13(9-14(12)17-15)8-11-4-2-1-3-5-11/h6-7,11,13,16H,1-5,8-10H2,(H,17,18).
What are the key properties of 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).