4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid

C20H18N2O4 — CID 154994794

IUPAC4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCCC1=CCc2cc(N3CCOc4cc(C(=O)O)cnc43)ccc2C1=O
InChIInChI=1S/C20H18N2O4/c1-2-12-3-4-13-9-15(5-6-16(13)18(12)23)22-7-8-26-17-10-14(20(24)25)11-21-19(17)22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,24,25)
InChIKeyGUOVXWABMIVDEB-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.39
Rot. Bonds3

About 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid

4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid (PubChem CID 154994794) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
PubChem CID154994794
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCCC1=CCc2cc(N3CCOc4cc(C(=O)O)cnc43)ccc2C1=O
InChIInChI=1S/C20H18N2O4/c1-2-12-3-4-13-9-15(5-6-16(13)18(12)23)22-7-8-26-17-10-14(20(24)25)11-21-19(17)22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,24,25)
InChIKeyGUOVXWABMIVDEB-UHFFFAOYSA-N
XLogP3.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid with MolForge

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Related Compounds

6-[Ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
CID 73775427
Methyl 1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
CID 16030809
Ethyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
CID 16030625
6-[N-ethyl-4-(2-methylpropoxy)-3-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 118736690
5-[[4-[3-[[Methyl-[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 24821572
5-[3-[[2,4-Bis(trifluoromethyl)phenyl]methyl-pyridin-2-ylamino]propoxy]pyridine-3-carboxylic acid
CID 58964745
2-Fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 154642479
Ethyl 2-fluoro-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoate
CID 154642501
3-[7-(4-Fluoro-4-methylpiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 154993983
5-[7-[(3S)-3-(difluoromethyl)piperidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-3H-isoindol-1-one
CID 154994196
2-methyl-5-[7-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-3H-isoindol-1-one
CID 154994197
2-methyl-5-[7-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-3H-isoindol-1-one
CID 154994199

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid (CID 154994794) is 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid is CCC1=CCc2cc(N3CCOc4cc(C(=O)O)cnc43)ccc2C1=O.
What is the InChIKey of 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is GUOVXWABMIVDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-12-3-4-13-9-15(5-6-16(13)18(12)23)22-7-8-26-17-10-14(20(24)25)11-21-19(17)22/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,24,25).
What are the key properties of 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-oxo-8H-naphthalen-2-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 154994794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).