2-ethyl-3-pentylquinazolin-4-one

C15H20N2O — CID 529110

IUPAC2-ethyl-3-pentylquinazolin-4-one
SMILESCCCCCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C15H20N2O/c1-3-5-8-11-17-14(4-2)16-13-10-7-6-9-12(13)15(17)18/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyQRFKUDDRZZYPPR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.15
Rot. Bonds5

About 2-ethyl-3-pentylquinazolin-4-one

2-ethyl-3-pentylquinazolin-4-one (PubChem CID 529110) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-ethyl-3-pentylquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-pentylquinazolin-4-one
PubChem CID529110
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-ethyl-3-pentylquinazolin-4-one
SMILESCCCCCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C15H20N2O/c1-3-5-8-11-17-14(4-2)16-13-10-7-6-9-12(13)15(17)18/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKeyQRFKUDDRZZYPPR-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
2-benzyl-3-butylquinazolin-4-one
CID 12563436
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
3-[4-(2,2-dimethyl-1,3-dioxan-5-yl)butyl]-2-ethylquinazolin-4-one
CID 141122386
2-amino-3-butylquinazolin-4-one
CID 71653207
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
2-ethyl-3-[(1-hexanoylpiperidin-4-yl)methyl]quinazolin-4-one
CID 42715373

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentylquinazolin-4-one?
The IUPAC name of 2-ethyl-3-pentylquinazolin-4-one (CID 529110) is 2-ethyl-3-pentylquinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-pentylquinazolin-4-one?
The canonical SMILES for 2-ethyl-3-pentylquinazolin-4-one is CCCCCn1c(CC)nc2ccccc2c1=O.
What is the InChIKey of 2-ethyl-3-pentylquinazolin-4-one?
The InChIKey is QRFKUDDRZZYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-8-11-17-14(4-2)16-13-10-7-6-9-12(13)15(17)18/h6-7,9-10H,3-5,8,11H2,1-2H3.
What are the key properties of 2-ethyl-3-pentylquinazolin-4-one?
2-ethyl-3-pentylquinazolin-4-one has a molecular weight of 244.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentylquinazolin-4-one is sourced from PubChem (CID 529110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).