3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate

C20H19FN2O4 — CID 56528167

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19FN2O4/c21-16-8-3-1-6-14(16)10-11-18(24)27-13-5-12-23-19(25)15-7-2-4-9-17(15)22-20(23)26/h1-4,6-9H,5,10-13H2,(H,22,26)
InChIKeyGVDWIYHQNGTDAE-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.39
Rot. Bonds7

About 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate

3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate (PubChem CID 56528167) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate
PubChem CID56528167
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19FN2O4/c21-16-8-3-1-6-14(16)10-11-18(24)27-13-5-12-23-19(25)15-7-2-4-9-17(15)22-20(23)26/h1-4,6-9H,5,10-13H2,(H,22,26)
InChIKeyGVDWIYHQNGTDAE-UHFFFAOYSA-N
XLogP2.39
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
CID 56528222
4-[acetyl-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]amino]butyl 4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
CID 140558184
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 56528209
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 56528156
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 1-ethylindole-2-carboxylate
CID 56528605
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 56528176
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418
3-[4-(azepan-1-yl)-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 4905579
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
4-O-[2-(2-fluorophenyl)ethyl] 1-O-hexadecyl butanedioate
CID 91711428

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate (CID 56528167) is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate is O=C(CCc1ccccc1F)OCCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate?
The InChIKey is GVDWIYHQNGTDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-16-8-3-1-6-14(16)10-11-18(24)27-13-5-12-23-19(25)15-7-2-4-9-17(15)22-20(23)26/h1-4,6-9H,5,10-13H2,(H,22,26).
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate?
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate has a molecular weight of 370.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 56528167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).