3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate

C16H20N2O3 — CID 59723876

IUPAC3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
SMILESCCC(=O)OCCCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-3-14-17-13-9-6-5-8-12(13)16(20)18(14)10-7-11-21-15(19)4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyOSVXSXHQEOWGRK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds6

About 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate

3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate (PubChem CID 59723876) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate.

Molecular Properties

Compound Name3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
PubChem CID59723876
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
SMILESCCC(=O)OCCCn1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3/c1-3-14-17-13-9-6-5-8-12(13)16(20)18(14)10-7-11-21-15(19)4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyOSVXSXHQEOWGRK-UHFFFAOYSA-N
XLogP2.30
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-(3-chloropropyl)-2-ethylquinazolin-4-one
CID 59723865
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
3-[4-(2,2-dimethyl-1,3-dioxan-5-yl)butyl]-2-ethylquinazolin-4-one
CID 141122386
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-chlorophenyl)sulfanylacetate
CID 30339679
2-benzyl-3-butylquinazolin-4-one
CID 12563436
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
lithium;2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid;hydride
CID 173233745

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate?
The IUPAC name of 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate (CID 59723876) is 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate.
What is the SMILES notation for 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate?
The canonical SMILES for 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate is CCC(=O)OCCCn1c(CC)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate?
The InChIKey is OSVXSXHQEOWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-14-17-13-9-6-5-8-12(13)16(20)18(14)10-7-11-21-15(19)4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate?
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate is sourced from PubChem (CID 59723876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).