[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate

C22H17FN2O4 — CID 24662031

IUPAC[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OCc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C22H17FN2O4/c23-16-6-3-5-15(11-16)12-21(26)29-14-20-24-19-9-2-1-8-18(19)22(27)25(20)13-17-7-4-10-28-17/h1-11H,12-14H2
InChIKeyYDSIGTYIXHXBIL-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.46
Rot. Bonds6

About [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate

[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate (PubChem CID 24662031) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate
PubChem CID24662031
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OCc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C22H17FN2O4/c23-16-6-3-5-15(11-16)12-21(26)29-14-20-24-19-9-2-1-8-18(19)22(27)25(20)13-17-7-4-10-28-17/h1-11H,12-14H2
InChIKeyYDSIGTYIXHXBIL-UHFFFAOYSA-N
XLogP3.46
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The IUPAC name of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate (CID 24662031) is [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate is O=C(Cc1cccc(F)c1)OCc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The InChIKey is YDSIGTYIXHXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-16-6-3-5-15(11-16)12-21(26)29-14-20-24-19-9-2-1-8-18(19)22(27)25(20)13-17-7-4-10-28-17/h1-11H,12-14H2.
What are the key properties of [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate?
[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate has a molecular weight of 392.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 24662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).