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

C25H20FN3O3 — CID 78322441

IUPACN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H20FN3O3/c26-18-11-8-17(9-12-18)10-13-23-28-22-7-2-1-6-21(22)25(32)29(23)20-5-3-4-19(16-20)27-24(31)14-15-30/h1-13,16,30H,14-15H2,(H,27,31)/b13-10+
InChIKeyVPBDSZRVEPFLKN-JLHYYAGUSA-N
MW429.45 g/mol
LogP4.02
Rot. Bonds6

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

N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide (PubChem CID 78322441) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide
PubChem CID78322441
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H20FN3O3/c26-18-11-8-17(9-12-18)10-13-23-28-22-7-2-1-6-21(22)25(32)29(23)20-5-3-4-19(16-20)27-24(31)14-15-30/h1-13,16,30H,14-15H2,(H,27,31)/b13-10+
InChIKeyVPBDSZRVEPFLKN-JLHYYAGUSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 92522255
methyl N-[3-[2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]carbamate
CID 78322440
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
CID 6616549
3-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 71819828
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide?
The IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide (CID 78322441) is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide?
The canonical SMILES for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide is O=C(CCO)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]-3-hydroxypropanamide?
The InChIKey is VPBDSZRVEPFLKN-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-18-11-8-17(9-12-18)10-13-23-28-22-7-2-1-6-21(22)25(32)29(23)20-5-3-4-19(16-20)27-24(31)14-15-30/h1-13,16,30H,14-15H2,(H,27,31)/b13-10+.
What are the key properties of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide?
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]-3-hydroxypropanamide has a molecular weight of 429.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-3-hydroxypropanamide is sourced from PubChem (CID 78322441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).