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

C21H21F2N3O2 — CID 70838391

IUPACN-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESCC(C)(C)Cc1nc2cc(F)c(F)cc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H21F2N3O2/c1-21(2,3)12-18-24-17-11-16(23)15(22)10-14(17)20(28)26(18)25-19(27)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,25,27)
InChIKeyGBYAVXXHKDAUHM-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.58
Rot. Bonds4

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

N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide (PubChem CID 70838391) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
PubChem CID70838391
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESCC(C)(C)Cc1nc2cc(F)c(F)cc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H21F2N3O2/c1-21(2,3)12-18-24-17-11-16(23)15(22)10-14(17)20(28)26(18)25-19(27)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,25,27)
InChIKeyGBYAVXXHKDAUHM-UHFFFAOYSA-N
XLogP3.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide (CID 70838391) is N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide is CC(C)(C)Cc1nc2cc(F)c(F)cc2c(=O)n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is GBYAVXXHKDAUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-21(2,3)12-18-24-17-11-16(23)15(22)10-14(17)20(28)26(18)25-19(27)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide?
N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 385.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70838391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).