2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one

C18H18F2N2O2 — CID 90683111

IUPAC2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCCCOc1ccc2c(n1)CCN(c1ccc(F)cc1F)C2=O
InChIInChI=1S/C18H18F2N2O2/c1-2-3-10-24-17-7-5-13-15(21-17)8-9-22(18(13)23)16-6-4-12(19)11-14(16)20/h4-7,11H,2-3,8-10H2,1H3
InChIKeyILSAVHGBKQQODC-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.74
Rot. Bonds5

About 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one

2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 90683111) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID90683111
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCCCOc1ccc2c(n1)CCN(c1ccc(F)cc1F)C2=O
InChIInChI=1S/C18H18F2N2O2/c1-2-3-10-24-17-7-5-13-15(21-17)8-9-22(18(13)23)16-6-4-12(19)11-14(16)20/h4-7,11H,2-3,8-10H2,1H3
InChIKeyILSAVHGBKQQODC-UHFFFAOYSA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

Orelabrutinib
CID 91667513
VU0404251
CID 58368068
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
N-cyclohexyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 51036707
Tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 53492593
2-((3-fluorobenzyl)oxy)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 57405264
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 57412058
2-[(3-chlorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 57415208
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368063
N-cyclohexyl-6-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368079
N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368167
6-Butoxy-N-(2,4-difluorophenyl)nicotinamide
CID 58368196

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 90683111) is 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one is CCCCOc1ccc2c(n1)CCN(c1ccc(F)cc1F)C2=O.
What is the InChIKey of 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is ILSAVHGBKQQODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-2-3-10-24-17-7-5-13-15(21-17)8-9-22(18(13)23)16-6-4-12(19)11-14(16)20/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 332.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-(2,4-difluorophenyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90683111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).