3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one

C17H23N3O — CID 104747287

IUPAC3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
SMILESCCNC(Cn1cnc2ccccc2c1=O)C1CCCC1
InChIInChI=1S/C17H23N3O/c1-2-18-16(13-7-3-4-8-13)11-20-12-19-15-10-6-5-9-14(15)17(20)21/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3
InChIKeyQGZAVJDBVYFPIS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds5

About 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one

3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one (PubChem CID 104747287) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
PubChem CID104747287
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
SMILESCCNC(Cn1cnc2ccccc2c1=O)C1CCCC1
InChIInChI=1S/C17H23N3O/c1-2-18-16(13-7-3-4-8-13)11-20-12-19-15-10-6-5-9-14(15)17(20)21/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3
InChIKeyQGZAVJDBVYFPIS-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
CID 107506094
5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912458
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
3-propylquinazolin-4-one
CID 529124
3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
CID 95213262
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
3-[2-[(2S)-1-propan-2-ylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39805457

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one (CID 104747287) is 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one is CCNC(Cn1cnc2ccccc2c1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one?
The InChIKey is QGZAVJDBVYFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-18-16(13-7-3-4-8-13)11-20-12-19-15-10-6-5-9-14(15)17(20)21/h5-6,9-10,12-13,16,18H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one?
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 104747287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).