N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

C24H18FN3O2 — CID 78322133

IUPACN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H18FN3O2/c1-16(29)26-19-5-4-6-20(15-19)28-23(14-11-17-9-12-18(25)13-10-17)27-22-8-3-2-7-21(22)24(28)30/h2-15H,1H3,(H,26,29)/b14-11+
InChIKeyIHQRITMNHBDCNF-SDNWHVSQSA-N
MW399.43 g/mol
LogP4.65
Rot. Bonds4

About N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 78322133) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
PubChem CID78322133
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H18FN3O2/c1-16(29)26-19-5-4-6-20(15-19)28-23(14-11-17-9-12-18(25)13-10-17)27-22-8-3-2-7-21(22)24(28)30/h2-15H,1H3,(H,26,29)/b14-11+
InChIKeyIHQRITMNHBDCNF-SDNWHVSQSA-N
XLogP4.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (CID 78322133) is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is IHQRITMNHBDCNF-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H18FN3O2/c1-16(29)26-19-5-4-6-20(15-19)28-23(14-11-17-9-12-18(25)13-10-17)27-22-8-3-2-7-21(22)24(28)30/h2-15H,1H3,(H,26,29)/b14-11+.
What are the key properties of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 78322133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).