2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide

C25H21F2N3O3 — CID 43988615

IUPAC2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccc(F)cc1F
InChIInChI=1S/C25H21F2N3O3/c1-14-12-18(30-16(3)28-22-7-5-4-6-19(22)25(30)32)9-10-21(14)29-24(31)15(2)33-23-11-8-17(26)13-20(23)27/h4-13,15H,1-3H3,(H,29,31)
InChIKeyUAHLKZJJCNFRAT-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.69
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide

2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (PubChem CID 43988615) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
PubChem CID43988615
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccc(F)cc1F
InChIInChI=1S/C25H21F2N3O3/c1-14-12-18(30-16(3)28-22-7-5-4-6-19(22)25(30)32)9-10-21(14)29-24(31)15(2)33-23-11-8-17(26)13-20(23)27/h4-13,15H,1-3H3,(H,29,31)
InChIKeyUAHLKZJJCNFRAT-UHFFFAOYSA-N
XLogP4.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
CID 50834702
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
N-(2,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 43014223
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
CID 50834726
2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 43988555
N-[2-(difluoromethoxy)phenyl]-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 24558856
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 46617294
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 41077275

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (CID 43988615) is 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The InChIKey is UAHLKZJJCNFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-14-12-18(30-16(3)28-22-7-5-4-6-19(22)25(30)32)9-10-21(14)29-24(31)15(2)33-23-11-8-17(26)13-20(23)27/h4-13,15H,1-3H3,(H,29,31).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide has a molecular weight of 449.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).