3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one

C18H26N2O2 — CID 54734724

IUPAC3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
SMILESCCCCCCn1c(=O)c(CCCC)c(O)c2cccnc21
InChIInChI=1S/C18H26N2O2/c1-3-5-7-8-13-20-17-14(11-9-12-19-17)16(21)15(18(20)22)10-6-4-2/h9,11-12,21H,3-8,10,13H2,1-2H3
InChIKeyNCBASUKIWNMGKS-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.03
Rot. Bonds8

About 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one

3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one (PubChem CID 54734724) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
PubChem CID54734724
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
SMILESCCCCCCn1c(=O)c(CCCC)c(O)c2cccnc21
InChIInChI=1S/C18H26N2O2/c1-3-5-7-8-13-20-17-14(11-9-12-19-17)16(21)15(18(20)22)10-6-4-2/h9,11-12,21H,3-8,10,13H2,1-2H3
InChIKeyNCBASUKIWNMGKS-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one (CID 54734724) is 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one is CCCCCCn1c(=O)c(CCCC)c(O)c2cccnc21.
What is the InChIKey of 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is NCBASUKIWNMGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-5-7-8-13-20-17-14(11-9-12-19-17)16(21)15(18(20)22)10-6-4-2/h9,11-12,21H,3-8,10,13H2,1-2H3.
What are the key properties of 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one?
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 54734724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).