6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide

C23H18N2O4 — CID 42386965

IUPAC6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc(=O)c2c1
InChIInChI=1S/C23H18N2O4/c1-14-9-10-20-18(11-14)19(26)13-21(29-20)23(28)25-24-22(27)12-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,13H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyCTZKXPVTKRNFIE-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.26
Rot. Bonds3

About 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide

6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide (PubChem CID 42386965) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide.

Molecular Properties

Compound Name6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide
PubChem CID42386965
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide
SMILESCc1ccc2oc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc(=O)c2c1
InChIInChI=1S/C23H18N2O4/c1-14-9-10-20-18(11-14)19(26)13-21(29-20)23(28)25-24-22(27)12-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,13H,12H2,1H3,(H,24,27)(H,25,28)
InChIKeyCTZKXPVTKRNFIE-UHFFFAOYSA-N
XLogP3.26
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
(2-chloroquinolin-3-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
CID 8730847
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384418
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide?
The IUPAC name of 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide (CID 42386965) is 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide.
What is the SMILES notation for 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide?
The canonical SMILES for 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide is Cc1ccc2oc(C(=O)NNC(=O)Cc3cccc4ccccc34)cc(=O)c2c1.
What is the InChIKey of 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide?
The InChIKey is CTZKXPVTKRNFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-9-10-20-18(11-14)19(26)13-21(29-20)23(28)25-24-22(27)12-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,13H,12H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide?
6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide is sourced from PubChem (CID 42386965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).