1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one

C16H22N2O — CID 139602635

IUPAC1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one
SMILESCCCCCCn1c(=O)ccc2c(C)c(C)cnc21
InChIInChI=1S/C16H22N2O/c1-4-5-6-7-10-18-15(19)9-8-14-13(3)12(2)11-17-16(14)18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyFAFGYWXOIGSHGK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.59
Rot. Bonds5

About 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one

1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one (PubChem CID 139602635) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one
PubChem CID139602635
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one
SMILESCCCCCCn1c(=O)ccc2c(C)c(C)cnc21
InChIInChI=1S/C16H22N2O/c1-4-5-6-7-10-18-15(19)9-8-14-13(3)12(2)11-17-16(14)18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyFAFGYWXOIGSHGK-UHFFFAOYSA-N
XLogP3.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one
CID 140959640
2-(4-hydroxy-3,5-dimethylanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70113254
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536
1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride
CID 23335414
1-hexyl-2,5-dimethylimidazole
CID 26794148
5-butyl-1-hexadecyl-2-methylimidazole
CID 158644637
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
4-acetyl-3-methyl-2-tetradecylisoquinolin-1-one
CID 175145957
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
1-nonylpyrrole-2,5-diol
CID 54200108
1-hexylpyrrole-2,5-diol
CID 54126791
3-hexyl-2-phenylquinazolin-4-one
CID 7559853

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one (CID 139602635) is 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one is CCCCCCn1c(=O)ccc2c(C)c(C)cnc21.
What is the InChIKey of 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is FAFGYWXOIGSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-6-7-10-18-15(19)9-8-14-13(3)12(2)11-17-16(14)18/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one?
1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 258.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5,6-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).