N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

C18H14ClN3O3 — CID 54677792

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)N/N=C\c2cccc(Cl)c2)c(O)c2ccccc21
InChIInChI=1S/C18H14ClN3O3/c1-22-14-8-3-2-7-13(14)16(23)15(18(22)25)17(24)21-20-10-11-5-4-6-12(19)9-11/h2-10,23H,1H3,(H,21,24)/b20-10-
InChIKeyMAQNHLCMEZUOOD-JMIUGGIZSA-N
MW355.78 g/mol
LogP2.66
Rot. Bonds3

About N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54677792) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54677792
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)N/N=C\c2cccc(Cl)c2)c(O)c2ccccc21
InChIInChI=1S/C18H14ClN3O3/c1-22-14-8-3-2-7-13(14)16(23)15(18(22)25)17(24)21-20-10-11-5-4-6-12(19)9-11/h2-10,23H,1H3,(H,21,24)/b20-10-
InChIKeyMAQNHLCMEZUOOD-JMIUGGIZSA-N
XLogP2.66
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.66
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

N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54707022
4-hydroxy-1-methyl-2-oxo-N-(pyridin-4-ylmethylideneamino)quinoline-3-carboxamide
CID 54694379
4-hydroxy-1-methyl-2-oxo-N-[(2,4,5-trimethoxyphenyl)methylideneamino]quinoline-3-carboxamide
CID 171131422
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54681792
N-[(E)-(2,6-dichloro-3-nitrophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732624
N-[(E)-(3-fluorophenyl)methylideneamino]-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
CID 54679553
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
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524954
4-hydroxy-1-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688251
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
CID 136825000

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54677792) is N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)N/N=C\c2cccc(Cl)c2)c(O)c2ccccc21.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is MAQNHLCMEZUOOD-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-22-14-8-3-2-7-13(14)16(23)15(18(22)25)17(24)21-20-10-11-5-4-6-12(19)9-11/h2-10,23H,1H3,(H,21,24)/b20-10-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54677792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).