4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one

C22H16N2O5 — CID 135829250

IUPAC4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2cnoc2-c2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-14(16)20(27)19(22(24)28)18(26)11-10-13-12-23-29-21(13)15-7-3-5-9-17(15)25/h2-12,25,27H,1H3/b11-10+
InChIKeyVTFUVIUMBHMGNS-ZHACJKMWSA-N
MW388.38 g/mol
LogP3.50
Rot. Bonds4

About 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one

4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one (PubChem CID 135829250) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one
PubChem CID135829250
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2cnoc2-c2ccccc2O)c(O)c2ccccc21
InChIInChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-14(16)20(27)19(22(24)28)18(26)11-10-13-12-23-29-21(13)15-7-3-5-9-17(15)25/h2-12,25,27H,1H3/b11-10+
InChIKeyVTFUVIUMBHMGNS-ZHACJKMWSA-N
XLogP3.50
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698783
4-hydroxy-1-methyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698785
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 67345550
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-ylmethylideneamino)quinoline-3-carboxamide
CID 54694379
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]anthracene-9,10-dione
CID 54697123
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-1-methyl-3-[3-(3-methylanilino)but-2-enoyl]quinolin-2-one
CID 54683787
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one (CID 135829250) is 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)/C=C/c2cnoc2-c2ccccc2O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one?
The InChIKey is VTFUVIUMBHMGNS-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-24-16-8-4-2-6-14(16)20(27)19(22(24)28)18(26)11-10-13-12-23-29-21(13)15-7-3-5-9-17(15)25/h2-12,25,27H,1H3/b11-10+.
What are the key properties of 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one?
4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one has a molecular weight of 388.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one is sourced from PubChem (CID 135829250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).