6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride

C43H45FN4O8 — CID 163666721

IUPAC6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
SMILESC.CCOC(=O)c1cn(CC)c2ncc(OC3Cc4ccccc4C3)cc2c1=O.CCn1cc(C(=O)O)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21.F
InChIInChI=1S/C22H22N2O4.C20H18N2O4.CH4.FH/c1-3-24-13-19(22(26)27-4-2)20(25)18-11-17(12-23-21(18)24)28-16-9-14-7-5-6-8-15(14)10-16;1-2-22-11-17(20(24)25)18(23)16-9-15(10-21-19(16)22)26-14-7-12-5-3-4-6-13(12)8-14;;/h5-8,11-13,16H,3-4,9-10H2,1-2H3;3-6,9-11,14H,2,7-8H2,1H3,(H,24,25);1H4;1H
InChIKeyIZCHASKZKXKLLX-UHFFFAOYSA-N
MW764.85 g/mol
LogP6.59
Rot. Bonds9

About 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride

6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride (PubChem CID 163666721) has the molecular formula C43H45FN4O8 and a molecular weight of 764.85 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
PubChem CID163666721
Molecular FormulaC43H45FN4O8
Molecular Weight764.85 g/mol
Exact Mass764.32
IUPAC Name6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
SMILESC.CCOC(=O)c1cn(CC)c2ncc(OC3Cc4ccccc4C3)cc2c1=O.CCn1cc(C(=O)O)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21.F
InChIInChI=1S/C22H22N2O4.C20H18N2O4.CH4.FH/c1-3-24-13-19(22(26)27-4-2)20(25)18-11-17(12-23-21(18)24)28-16-9-14-7-5-6-8-15(14)10-16;1-2-22-11-17(20(24)25)18(23)16-9-15(10-21-19(16)22)26-14-7-12-5-3-4-6-13(12)8-14;;/h5-8,11-13,16H,3-4,9-10H2,1-2H3;3-6,9-11,14H,2,7-8H2,1H3,(H,24,25);1H4;1H
InChIKeyIZCHASKZKXKLLX-UHFFFAOYSA-N
XLogP6.59
TPSA151.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.85
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride with MolForge

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Related Compounds

6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one
CID 162482186
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 146487736
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 24772165
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-N-(2-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 24954059
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-phenoxy-1,8-naphthyridin-4-one
CID 134603468
ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
CID 12804054
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-1-ethyl-3-methyl-1,8-naphthyridin-4-one;ethane
CID 142369043

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride (CID 163666721) is 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride is C.CCOC(=O)c1cn(CC)c2ncc(OC3Cc4ccccc4C3)cc2c1=O.CCn1cc(C(=O)O)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21.F.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride?
The InChIKey is IZCHASKZKXKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4.C20H18N2O4.CH4.FH/c1-3-24-13-19(22(26)27-4-2)20(25)18-11-17(12-23-21(18)24)28-16-9-14-7-5-6-8-15(14)10-16;1-2-22-11-17(20(24)25)18(23)16-9-15(10-21-19(16)22)26-14-7-12-5-3-4-6-13(12)8-14;;/h5-8,11-13,16H,3-4,9-10H2,1-2H3;3-6,9-11,14H,2,7-8H2,1H3,(H,24,25);1H4;1H.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride?
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride has a molecular weight of 764.85 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride is sourced from PubChem (CID 163666721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).