2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide

C19H17N3O2 — CID 2102383

IUPAC2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c1-12-7-9-14(10-8-12)18(23)21-22-19(24)16-11-13(2)20-17-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGTWPFBGTGCROE-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.93
Rot. Bonds2

About 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide

2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide (PubChem CID 2102383) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide
PubChem CID2102383
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C19H17N3O2/c1-12-7-9-14(10-8-12)18(23)21-22-19(24)16-11-13(2)20-17-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyOGTWPFBGTGCROE-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide (CID 2102383) is 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1.
What is the InChIKey of 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide?
The InChIKey is OGTWPFBGTGCROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-7-9-14(10-8-12)18(23)21-22-19(24)16-11-13(2)20-17-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide?
2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide has a molecular weight of 319.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylbenzoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 2102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).