3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide

C23H19FN4O — CID 58829952

IUPAC3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)c1
InChIInChI=1S/C23H19FN4O/c1-13-3-7-19(24)21(9-13)27-22(29)16-5-4-14(2)18(11-16)15-6-8-20-17(10-15)12-26-23(25)28-20/h3-12H,1-2H3,(H,27,29)(H2,25,26,28)
InChIKeyHXCZTDFSMDNDQK-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.89
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide

3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide (PubChem CID 58829952) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
PubChem CID58829952
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)c1
InChIInChI=1S/C23H19FN4O/c1-13-3-7-19(24)21(9-13)27-22(29)16-5-4-14(2)18(11-16)15-6-8-20-17(10-15)12-26-23(25)28-20/h3-12H,1-2H3,(H,27,29)(H2,25,26,28)
InChIKeyHXCZTDFSMDNDQK-UHFFFAOYSA-N
XLogP4.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide
CID 58829691
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 69461436
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
3-(2-aminoquinazolin-6-yl)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 58829376
3-(2-aminoquinazolin-6-yl)-N-[2-fluoro-3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 11606287
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-N-[2-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide (CID 58829952) is 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide is Cc1ccc(F)c(NC(=O)c2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2)c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The InChIKey is HXCZTDFSMDNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-13-3-7-19(24)21(9-13)27-22(29)16-5-4-14(2)18(11-16)15-6-8-20-17(10-15)12-26-23(25)28-20/h3-12H,1-2H3,(H,27,29)(H2,25,26,28).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 58829952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).