N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide

C23H17F2N3O2 — CID 171649584

IUPACN-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
SMILESCc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H17F2N3O2/c1-14-26-21-13-20(25)19(24)12-18(21)23(30)28(14)17-9-7-16(8-10-17)27-22(29)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,27,29)
InChIKeyLFEPNRTXISAPRB-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.15
Rot. Bonds4

About N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide

N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide (PubChem CID 171649584) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
PubChem CID171649584
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC NameN-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
SMILESCc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H17F2N3O2/c1-14-26-21-13-20(25)19(24)12-18(21)23(30)28(14)17-9-7-16(8-10-17)27-22(29)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,27,29)
InChIKeyLFEPNRTXISAPRB-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838391
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide (CID 171649584) is N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide is Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide?
The InChIKey is LFEPNRTXISAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-14-26-21-13-20(25)19(24)12-18(21)23(30)28(14)17-9-7-16(8-10-17)27-22(29)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,27,29).
What are the key properties of N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide?
N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide has a molecular weight of 405.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 171649584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).