benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate

C23H18FN3O3 — CID 24807791

IUPACbenzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
SMILESO=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H18FN3O3/c24-17-10-12-18(13-11-17)27-21(26-20-9-5-4-8-19(20)22(27)28)14-25-23(29)30-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,29)
InChIKeyKXCKYCWAERBRSR-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.95
Rot. Bonds5

About benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate

benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate (PubChem CID 24807791) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
PubChem CID24807791
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Namebenzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
SMILESO=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H18FN3O3/c24-17-10-12-18(13-11-17)27-21(26-20-9-5-4-8-19(20)22(27)28)14-25-23(29)30-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,29)
InChIKeyKXCKYCWAERBRSR-UHFFFAOYSA-N
XLogP3.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate (CID 24807791) is benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate is O=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
The InChIKey is KXCKYCWAERBRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-17-10-12-18(13-11-17)27-21(26-20-9-5-4-8-19(20)22(27)28)14-25-23(29)30-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,29).
What are the key properties of benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate?
benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate has a molecular weight of 403.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate is sourced from PubChem (CID 24807791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).