2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide

C17H22N4O2 — CID 18139328

IUPAC2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
SMILESCCn1c(NNC(=O)CC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H22N4O2/c1-2-21-16(23)13-9-5-6-10-14(13)18-17(21)20-19-15(22)11-12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyMHJMRKAZYZUUGF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide

2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide (PubChem CID 18139328) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
PubChem CID18139328
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
SMILESCCn1c(NNC(=O)CC2CCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H22N4O2/c1-2-21-16(23)13-9-5-6-10-14(13)18-17(21)20-19-15(22)11-12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyMHJMRKAZYZUUGF-UHFFFAOYSA-N
XLogP2.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.44
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

3-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 24645871
4-butyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)cyclohexane-1-carbohydrazide
CID 17475140
(2R)-1-(benzenesulfonyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-2-carbohydrazide
CID 51925984
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
1-(2,2-dimethylpropanoyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)piperidine-4-carbohydrazide
CID 18227266
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 24598241
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
(2R,3S)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26062346
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
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 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The IUPAC name of 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide (CID 18139328) is 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide.
What is the SMILES notation for 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The canonical SMILES for 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide is CCn1c(NNC(=O)CC2CCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The InChIKey is MHJMRKAZYZUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-21-16(23)13-9-5-6-10-14(13)18-17(21)20-19-15(22)11-12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide has a molecular weight of 314.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide is sourced from PubChem (CID 18139328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).