N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

C24H17F2N3O2 — CID 6616549

IUPACN-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C=Cc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H17F2N3O2/c1-15(30)27-17-8-10-18(11-9-17)29-23(13-7-16-6-12-20(25)21(26)14-16)28-22-5-3-2-4-19(22)24(29)31/h2-14H,1H3,(H,27,30)
InChIKeyXFFWJUHAZDJMOK-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.79
Rot. Bonds4

About N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide

N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 6616549) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
PubChem CID6616549
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C=Cc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H17F2N3O2/c1-15(30)27-17-8-10-18(11-9-17)29-23(13-7-16-6-12-20(25)21(26)14-16)28-22-5-3-2-4-19(22)24(29)31/h2-14H,1H3,(H,27,30)
InChIKeyXFFWJUHAZDJMOK-UHFFFAOYSA-N
XLogP4.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
CID 6616536
3-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 71819828
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
N-[4-[7-chloro-4-oxo-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3-yl]phenyl]acetamide
CID 20967025
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide
CID 6449263
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide
CID 78322441
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide (CID 6616549) is N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-n2c(C=Cc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is XFFWJUHAZDJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c1-15(30)27-17-8-10-18(11-9-17)29-23(13-7-16-6-12-20(25)21(26)14-16)28-22-5-3-2-4-19(22)24(29)31/h2-14H,1H3,(H,27,30).
What are the key properties of N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide?
N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 417.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 6616549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).