6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one

C18H16ClN3O3 — CID 155927544

IUPAC6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one
SMILESCOc1ccc(/C=N/Nc2cc(=O)[nH]c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-16-6-3-11(7-17(16)25-2)10-20-22-15-9-18(23)21-14-5-4-12(19)8-13(14)15/h3-10H,1-2H3,(H2,21,22,23)/b20-10+
InChIKeyWELXWCPJRGVHRQ-KEBDBYFISA-N
MW357.80 g/mol
LogP3.64
Rot. Bonds5

About 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one

6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one (PubChem CID 155927544) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one
PubChem CID155927544
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one
SMILESCOc1ccc(/C=N/Nc2cc(=O)[nH]c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-16-6-3-11(7-17(16)25-2)10-20-22-15-9-18(23)21-14-5-4-12(19)8-13(14)15/h3-10H,1-2H3,(H2,21,22,23)/b20-10+
InChIKeyWELXWCPJRGVHRQ-KEBDBYFISA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6217597
[2-methoxy-4-[(E)-[(5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 136733729
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
[4-[[[5-chloro-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]-2-methoxyphenyl] 5-chloro-2-methoxybenzoate
CID 126403872
[4-[[(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 126401619
6-tert-butyl-3-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135831046
3-[(2E)-2-[[3-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136740643

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one (CID 155927544) is 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one is COc1ccc(/C=N/Nc2cc(=O)[nH]c3ccc(Cl)cc23)cc1OC.
What is the InChIKey of 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one?
The InChIKey is WELXWCPJRGVHRQ-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-16-6-3-11(7-17(16)25-2)10-20-22-15-9-18(23)21-14-5-4-12(19)8-13(14)15/h3-10H,1-2H3,(H2,21,22,23)/b20-10+.
What are the key properties of 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one?
6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one has a molecular weight of 357.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1H-quinolin-2-one is sourced from PubChem (CID 155927544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).