8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide

C19H17N3O3 — CID 176514152

IUPAC8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)18(24)21-22-19(25)15-10-20-16-12(2)4-3-5-14(16)17(15)23/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKNCRLYWCNLAXLE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.22
Rot. Bonds2

About 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide

8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 176514152) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID176514152
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)18(24)21-22-19(25)15-10-20-16-12(2)4-3-5-14(16)17(15)23/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKNCRLYWCNLAXLE-UHFFFAOYSA-N
XLogP2.22
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127051489
2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 68760061
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
CID 53264499
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 167789919
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 51052517

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide (CID 176514152) is 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2c[nH]c3c(C)cccc3c2=O)cc1.
What is the InChIKey of 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is KNCRLYWCNLAXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)18(24)21-22-19(25)15-10-20-16-12(2)4-3-5-14(16)17(15)23/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide?
8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 335.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 176514152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).