N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide

C19H16ClN3O3S — CID 55787862

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
SMILESCn1c(=O)cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H16ClN3O3S/c1-23-16-5-3-2-4-14(16)15(10-18(23)25)19(26)22-21-17(24)11-27-13-8-6-12(20)7-9-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26)
InChIKeySLQDDTGQDZCYCB-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.75
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide (PubChem CID 55787862) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
PubChem CID55787862
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
SMILESCn1c(=O)cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H16ClN3O3S/c1-23-16-5-3-2-4-14(16)15(10-18(23)25)19(26)22-21-17(24)11-27-13-8-6-12(20)7-9-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26)
InChIKeySLQDDTGQDZCYCB-UHFFFAOYSA-N
XLogP2.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-(4-chlorophenyl)-2-(9-methylcarbazol-2-yl)sulfanylacetamide
CID 165018533
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
CID 35930229
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55756044
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide (CID 55787862) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide is Cn1c(=O)cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The InChIKey is SLQDDTGQDZCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-23-16-5-3-2-4-14(16)15(10-18(23)25)19(26)22-21-17(24)11-27-13-8-6-12(20)7-9-13/h2-10H,11H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide has a molecular weight of 401.88 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide is sourced from PubChem (CID 55787862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).