4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide

C21H30N4O2 — CID 17475140

IUPAC4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
SMILESCCCCC1CCC(C(=O)NNc2nc3ccccc3c(=O)n2CC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-5-8-15-11-13-16(14-12-15)19(26)23-24-21-22-18-10-7-6-9-17(18)20(27)25(21)4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyLLYAALZPXIRPES-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.86
Rot. Bonds7

About 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide

4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide (PubChem CID 17475140) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
PubChem CID17475140
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
SMILESCCCCC1CCC(C(=O)NNc2nc3ccccc3c(=O)n2CC)CC1
InChIInChI=1S/C21H30N4O2/c1-3-5-8-15-11-13-16(14-12-15)19(26)23-24-21-22-18-10-7-6-9-17(18)20(27)25(21)4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyLLYAALZPXIRPES-UHFFFAOYSA-N
XLogP3.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.86
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

1-(2,2-dimethylpropanoyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-4-carbohydrazide
CID 18227266
3-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 24645871
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
CID 51925984
(2R,3S)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26062346
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
(2S,3S)-1-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 30545645
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 46554488
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
N-[1-[2-(3-ethyl-4-oxoquinazolin-2-yl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 24574726

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide (CID 17475140) is 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide is CCCCC1CCC(C(=O)NNc2nc3ccccc3c(=O)n2CC)CC1.
What is the InChIKey of 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide?
The InChIKey is LLYAALZPXIRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-5-8-15-11-13-16(14-12-15)19(26)23-24-21-22-18-10-7-6-9-17(18)20(27)25(21)4-2/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide?
4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide has a molecular weight of 370.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 17475140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).