N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide

C24H27N3O5 — CID 55789038

IUPACN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(=O)n(C)c3ccccc23)ccc1OCCC(C)C
InChIInChI=1S/C24H27N3O5/c1-15(2)11-12-32-20-10-9-16(13-21(20)31-4)23(29)25-26-24(30)18-14-22(28)27(3)19-8-6-5-7-17(18)19/h5-10,13-15H,11-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyOPAPXOVTZFNRMF-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.05
Rot. Bonds7

About N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide

N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide (PubChem CID 55789038) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
PubChem CID55789038
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(=O)n(C)c3ccccc23)ccc1OCCC(C)C
InChIInChI=1S/C24H27N3O5/c1-15(2)11-12-32-20-10-9-16(13-21(20)31-4)23(29)25-26-24(30)18-14-22(28)27(3)19-8-6-5-7-17(18)19/h5-10,13-15H,11-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyOPAPXOVTZFNRMF-UHFFFAOYSA-N
XLogP3.05
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
CID 24609588
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55785647
N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 34559924
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46587095

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide (CID 55789038) is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The canonical SMILES for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(=O)n(C)c3ccccc23)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
The InChIKey is OPAPXOVTZFNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-15(2)11-12-32-20-10-9-16(13-21(20)31-4)23(29)25-26-24(30)18-14-22(28)27(3)19-8-6-5-7-17(18)19/h5-10,13-15H,11-12H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide?
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide has a molecular weight of 437.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide is sourced from PubChem (CID 55789038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).