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

C21H22N4O2 — CID 102603450

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(C)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)22-12-20(26)24-25-21(27)17-11-15(3)23-19-7-5-4-6-16(17)19/h4-11,22H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHMODZZRGXCEXFP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.03
Rot. Bonds4

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

N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide (PubChem CID 102603450) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
PubChem CID102603450
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cc(C)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)22-12-20(26)24-25-21(27)17-11-15(3)23-19-7-5-4-6-16(17)19/h4-11,22H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyHMODZZRGXCEXFP-UHFFFAOYSA-N
XLogP3.03
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9432141
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9273392
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
CID 4789695
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 55513954
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide (CID 102603450) is N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2cc(C)nc3ccccc23)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide?
The InChIKey is HMODZZRGXCEXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-9-18(14(2)10-13)22-12-20(26)24-25-21(27)17-11-15(3)23-19-7-5-4-6-16(17)19/h4-11,22H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide has a molecular weight of 362.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 102603450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).