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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Related Compounds

5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid
CID 54728926
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 139946679
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
4-acetyl-3-methyl-2-tetradecylisoquinolin-1-one
CID 175145957
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54693055
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693

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).