N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C25H21F2N3O3 — CID 16573183

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H21F2N3O3/c26-25(27)33-19-12-10-18(11-13-19)23(17-6-2-1-3-7-17)29-22(31)14-15-30-16-28-21-9-5-4-8-20(21)24(30)32/h1-13,16,23,25H,14-15H2,(H,29,31)
InChIKeyZDQZVWZSHPNEJW-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.29
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 16573183) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID16573183
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H21F2N3O3/c26-25(27)33-19-12-10-18(11-13-19)23(17-6-2-1-3-7-17)29-22(31)14-15-30-16-28-21-9-5-4-8-20(21)24(30)32/h1-13,16,23,25H,14-15H2,(H,29,31)
InChIKeyZDQZVWZSHPNEJW-UHFFFAOYSA-N
XLogP4.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
CID 4835709
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51951513
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 16573183) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZDQZVWZSHPNEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-25(27)33-19-12-10-18(11-13-19)23(17-6-2-1-3-7-17)29-22(31)14-15-30-16-28-21-9-5-4-8-20(21)24(30)32/h1-13,16,23,25H,14-15H2,(H,29,31).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 449.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 16573183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).