4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one

C19H14N2O5 — CID 54698783

IUPAC4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C19H14N2O5/c1-20-15-9-5-3-7-13(15)18(23)17(19(20)24)16(22)11-10-12-6-2-4-8-14(12)21(25)26/h2-11,23H,1H3/b11-10+
InChIKeyUFMXEKOLRJAUJO-ZHACJKMWSA-N
MW350.33 g/mol
LogP3.05
Rot. Bonds4

About 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one

4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one (PubChem CID 54698783) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
PubChem CID54698783
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21
InChIInChI=1S/C19H14N2O5/c1-20-15-9-5-3-7-13(15)18(23)17(19(20)24)16(22)11-10-12-6-2-4-8-14(12)21(25)26/h2-11,23H,1H3/b11-10+
InChIKeyUFMXEKOLRJAUJO-ZHACJKMWSA-N
XLogP3.05
TPSA102.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]quinolin-2-one
CID 54698785
4-hydroxy-3-[(E)-3-[5-(2-hydroxyphenyl)-1,2-oxazol-4-yl]prop-2-enoyl]-1-methylquinolin-2-one
CID 135829250
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
4-hydroxy-1-methyl-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54724584
4-hydroxy-1-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688248
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
N-[(E)-(2,6-dichloro-3-nitrophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732624
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
3-(2-hydroxy-3-nitrophenyl)-1-phenylprop-2-en-1-one
CID 71324009
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
N-[3-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxyacetamide
CID 67345550

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one (CID 54698783) is 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one is Cn1c(=O)c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one?
The InChIKey is UFMXEKOLRJAUJO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-20-15-9-5-3-7-13(15)18(23)17(19(20)24)16(22)11-10-12-6-2-4-8-14(12)21(25)26/h2-11,23H,1H3/b11-10+.
What are the key properties of 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one?
4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one has a molecular weight of 350.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]quinolin-2-one is sourced from PubChem (CID 54698783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).