4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one

C24H20N2O4S — CID 162634116

IUPAC4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=C(c1cccc(-c2ccc3[nH]c(=O)c(-c4cccs4)c(O)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H20N2O4S/c27-22-18-14-16(6-7-19(18)25-23(28)21(22)20-5-2-12-31-20)15-3-1-4-17(13-15)24(29)26-8-10-30-11-9-26/h1-7,12-14H,8-11H2,(H2,25,27,28)
InChIKeyOOBDVFCMQBHRNJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.10
Rot. Bonds3

About 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one

4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 162634116) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID162634116
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=C(c1cccc(-c2ccc3[nH]c(=O)c(-c4cccs4)c(O)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H20N2O4S/c27-22-18-14-16(6-7-19(18)25-23(28)21(22)20-5-2-12-31-20)15-3-1-4-17(13-15)24(29)26-8-10-30-11-9-26/h1-7,12-14H,8-11H2,(H2,25,27,28)
InChIKeyOOBDVFCMQBHRNJ-UHFFFAOYSA-N
XLogP4.10
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
4-hydroxy-6-(2-methoxy-3-pyridinyl)-3-thiophen-2-yl-1H-quinolin-2-one
CID 162629528
4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
4,5-dihydroxy-2-[3-(morpholine-4-carbonyl)phenyl]benzene-1,3-dicarbonitrile
CID 90015873
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
2-hydroxy-5-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzaldehyde
CID 59599931

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one (CID 162634116) is 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one is O=C(c1cccc(-c2ccc3[nH]c(=O)c(-c4cccs4)c(O)c3c2)c1)N1CCOCC1.
What is the InChIKey of 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is OOBDVFCMQBHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-22-18-14-16(6-7-19(18)25-23(28)21(22)20-5-2-12-31-20)15-3-1-4-17(13-15)24(29)26-8-10-30-11-9-26/h1-7,12-14H,8-11H2,(H2,25,27,28).
What are the key properties of 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one?
4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 432.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[3-(morpholine-4-carbonyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 162634116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).