8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid

C17H19NO6 — CID 67103846

IUPAC8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid
SMILESCC1CN(c2cc(=O)c3cc(C(=O)O)cc(C(C)O)c3o2)CCO1
InChIInChI=1S/C17H19NO6/c1-9-8-18(3-4-23-9)15-7-14(20)13-6-11(17(21)22)5-12(10(2)19)16(13)24-15/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,21,22)
InChIKeyOHQMTNFZRYKKMW-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.77
Rot. Bonds3

About 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid

8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid (PubChem CID 67103846) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid.

Molecular Properties

Compound Name8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid
PubChem CID67103846
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid
SMILESCC1CN(c2cc(=O)c3cc(C(=O)O)cc(C(C)O)c3o2)CCO1
InChIInChI=1S/C17H19NO6/c1-9-8-18(3-4-23-9)15-7-14(20)13-6-11(17(21)22)5-12(10(2)19)16(13)24-15/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,21,22)
InChIKeyOHQMTNFZRYKKMW-UHFFFAOYSA-N
XLogP1.77
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-bromoethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 160543290
8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 58235059
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
CID 86672435
8-[(1S)-1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-(2-methylmorpholin-4-yl)chromen-4-one
CID 67103906
8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
CID 86672443
8-(1-bromoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 160531552
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
CID 89051890
8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58235053
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
8-[1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58234970
1-[4-(2-methylmorpholin-4-yl)phenyl]ethanol
CID 43505918

Frequently Asked Questions

What is the IUPAC name of 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid?
The IUPAC name of 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid (CID 67103846) is 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid.
What is the SMILES notation for 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid?
The canonical SMILES for 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid is CC1CN(c2cc(=O)c3cc(C(=O)O)cc(C(C)O)c3o2)CCO1.
What is the InChIKey of 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid?
The InChIKey is OHQMTNFZRYKKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-9-8-18(3-4-23-9)15-7-14(20)13-6-11(17(21)22)5-12(10(2)19)16(13)24-15/h5-7,9-10,19H,3-4,8H2,1-2H3,(H,21,22).
What are the key properties of 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid?
8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid is sourced from PubChem (CID 67103846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).