9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

C20H20N2O5 — CID 169420516

IUPAC9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCCOc1cc(C2CC(=O)Nc3cc4c(cc32)N(C)C(=O)CO4)ccc1O
InChIInChI=1S/C20H20N2O5/c1-3-26-18-6-11(4-5-16(18)23)12-8-19(24)21-14-9-17-15(7-13(12)14)22(2)20(25)10-27-17/h4-7,9,12,23H,3,8,10H2,1-2H3,(H,21,24)
InChIKeyNHFINWHOJYGXQH-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.62
Rot. Bonds3

About 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione

9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (PubChem CID 169420516) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.

Molecular Properties

Compound Name9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
PubChem CID169420516
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
SMILESCCOc1cc(C2CC(=O)Nc3cc4c(cc32)N(C)C(=O)CO4)ccc1O
InChIInChI=1S/C20H20N2O5/c1-3-26-18-6-11(4-5-16(18)23)12-8-19(24)21-14-9-17-15(7-13(12)14)22(2)20(25)10-27-17/h4-7,9,12,23H,3,8,10H2,1-2H3,(H,21,24)
InChIKeyNHFINWHOJYGXQH-UHFFFAOYSA-N
XLogP2.62
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione with MolForge

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Related Compounds

9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3162323
(9S)-9-(8-hydroxyquinolin-2-yl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 95147338
9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 171907621
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
5-[(9R)-1-ethyl-2,7-dioxo-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazin-9-yl]thiophene-2-carboxylic acid
CID 95130394
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 740695
4-(3-ethoxy-4-hydroxyphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 3120912
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130067438
6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The IUPAC name of 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione (CID 169420516) is 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione.
What is the SMILES notation for 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The canonical SMILES for 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is CCOc1cc(C2CC(=O)Nc3cc4c(cc32)N(C)C(=O)CO4)ccc1O.
What is the InChIKey of 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
The InChIKey is NHFINWHOJYGXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-18-6-11(4-5-16(18)23)12-8-19(24)21-14-9-17-15(7-13(12)14)22(2)20(25)10-27-17/h4-7,9,12,23H,3,8,10H2,1-2H3,(H,21,24).
What are the key properties of 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione?
9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione has a molecular weight of 368.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione is sourced from PubChem (CID 169420516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).