1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one

C19H18N2O3 — CID 135498669

IUPAC1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
SMILESCCn1c(=O)c(/C=N/c2cccc(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-3-21-17-10-5-4-9-15(17)18(22)16(19(21)23)12-20-13-7-6-8-14(11-13)24-2/h4-12,22H,3H2,1-2H3/b20-12+
InChIKeyRWTAHQSDMSHCAR-UDWIEESQSA-N
MW322.36 g/mol
LogP3.49
Rot. Bonds4

About 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one

1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one (PubChem CID 135498669) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
PubChem CID135498669
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
SMILESCCn1c(=O)c(/C=N/c2cccc(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-3-21-17-10-5-4-9-15(17)18(22)16(19(21)23)12-20-13-7-6-8-14(11-13)24-2/h4-12,22H,3H2,1-2H3/b20-12+
InChIKeyRWTAHQSDMSHCAR-UDWIEESQSA-N
XLogP3.49
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
1-butyl-4-hydroxy-3-[(3-nitrophenyl)iminomethyl]quinolin-2-one
CID 135527730
[(E)-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135685377
[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135510232
6-hydroxy-5-[(3-methoxyphenyl)iminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
CID 135784234
3-hydroxy-7-methoxy-2-methyl-4-(phenyliminomethyl)isoquinolin-1-one
CID 833112
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
CID 135688806
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
2-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one
CID 4897674
1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 870605

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one (CID 135498669) is 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one is CCn1c(=O)c(/C=N/c2cccc(OC)c2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one?
The InChIKey is RWTAHQSDMSHCAR-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-21-17-10-5-4-9-15(17)18(22)16(19(21)23)12-20-13-7-6-8-14(11-13)24-2/h4-12,22H,3H2,1-2H3/b20-12+.
What are the key properties of 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one?
1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one is sourced from PubChem (CID 135498669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).