N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide

C20H16N4O3 — CID 9471732

IUPACN'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1
InChIInChI=1S/C20H16N4O3/c1-13-10-17(16-4-2-3-5-18(16)22-13)20(26)24-23-19(25)12-27-15-8-6-14(11-21)7-9-15/h2-10H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSXORHSHNXDRIW-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.25
Rot. Bonds4

About N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide (PubChem CID 9471732) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
PubChem CID9471732
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1
InChIInChI=1S/C20H16N4O3/c1-13-10-17(16-4-2-3-5-18(16)22-13)20(26)24-23-19(25)12-27-15-8-6-14(11-21)7-9-15/h2-10H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSXORHSHNXDRIW-UHFFFAOYSA-N
XLogP2.25
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.25
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-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
CID 25395657
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
CID 78859425
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
(3-cyanophenyl) 2-methylquinoline-4-carboxylate
CID 18080090
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
[2-(2-cyanoanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2454944
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
CID 4789695
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide (CID 9471732) is N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide?
The InChIKey is WSXORHSHNXDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-10-17(16-4-2-3-5-18(16)22-13)20(26)24-23-19(25)12-27-15-8-6-14(11-21)7-9-15/h2-10H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide has a molecular weight of 360.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 9471732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).