ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione

C20H26FN3O4 — CID 165394436

IUPACethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
SMILESCC.Cc1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1
InChIInChI=1S/C18H20FN3O4.C2H6/c1-11-3-4-14(13(19)9-11)20-17-16-12(10-15(24)21(17)2)5-6-22(18(16)25)26-8-7-23;1-2/h3-4,9-10,20,23H,5-8H2,1-2H3;1-2H3
InChIKeyLFLBRORKKVQRFM-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.52
Rot. Bonds5

About ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione

ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione (PubChem CID 165394436) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol. Its IUPAC name is ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione.

Molecular Properties

Compound Nameethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
PubChem CID165394436
Molecular FormulaC20H26FN3O4
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Nameethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
SMILESCC.Cc1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1
InChIInChI=1S/C18H20FN3O4.C2H6/c1-11-3-4-14(13(19)9-11)20-17-16-12(10-15(24)21(17)2)5-6-22(18(16)25)26-8-7-23;1-2/h3-4,9-10,20,23H,5-8H2,1-2H3;1-2H3
InChIKeyLFLBRORKKVQRFM-UHFFFAOYSA-N
XLogP2.52
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
CID 165386419
8-[2-fluoro-4-(trifluoromethoxy)anilino]-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
CID 165386459
8-(2-fluoro-4-methylsulfanylanilino)-2-[(4-methoxyphenyl)methyl]-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
CID 165386523
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one
CID 145480110
[8-(4-bromo-2-fluoroanilino)-2-(2-hydroxyethyl)-7-methyl-1,6-dioxo-3,4-dihydro-2,7-naphthyridin-3-yl] 2,2,2-trifluoroacetate
CID 165386520
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971

Frequently Asked Questions

What is the IUPAC name of ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The IUPAC name of ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione (CID 165394436) is ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione.
What is the SMILES notation for ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The canonical SMILES for ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione is CC.Cc1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1.
What is the InChIKey of ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The InChIKey is LFLBRORKKVQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4.C2H6/c1-11-3-4-14(13(19)9-11)20-17-16-12(10-15(24)21(17)2)5-6-22(18(16)25)26-8-7-23;1-2/h3-4,9-10,20,23H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione has a molecular weight of 391.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione is sourced from PubChem (CID 165394436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).