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

C20H19ClN2O4 — CID 56528222

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
SMILESO=C(CCc1ccccc1Cl)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19ClN2O4/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)
InChIKeyDJTVPBKHDXMZTE-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.91
Rot. Bonds7

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

3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate (PubChem CID 56528222) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
PubChem CID56528222
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate
SMILESO=C(CCc1ccccc1Cl)OCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H19ClN2O4/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)
InChIKeyDJTVPBKHDXMZTE-UHFFFAOYSA-N
XLogP2.91
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate (CID 56528222) is 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate is O=C(CCc1ccccc1Cl)OCCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate?
The InChIKey is DJTVPBKHDXMZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/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-chlorophenyl)propanoate?
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 3-(2-chlorophenyl)propanoate has a molecular weight of 386.84 g/mol, XLogP of 2.91, 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-chlorophenyl)propanoate is sourced from PubChem (CID 56528222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).