3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide

C25H23BrN4O — CID 58829165

IUPAC3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(-c3ccc4nc(N)ncc4c3)c2)ccc1C(C)C
InChIInChI=1S/C25H23BrN4O/c1-14(2)22-6-5-21(8-15(22)3)29-24(31)18-10-17(11-20(26)12-18)16-4-7-23-19(9-16)13-28-25(27)30-23/h4-14H,1-3H3,(H,29,31)(H2,27,28,30)
InChIKeyIEWXGGZFCQMVJP-UHFFFAOYSA-N
MW475.39 g/mol
LogP6.33
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide

3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide (PubChem CID 58829165) has the molecular formula C25H23BrN4O and a molecular weight of 475.39 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide
PubChem CID58829165
Molecular FormulaC25H23BrN4O
Molecular Weight475.39 g/mol
Exact Mass474.11
IUPAC Name3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)cc(-c3ccc4nc(N)ncc4c3)c2)ccc1C(C)C
InChIInChI=1S/C25H23BrN4O/c1-14(2)22-6-5-21(8-15(22)3)29-24(31)18-10-17(11-20(26)12-18)16-4-7-23-19(9-16)13-28-25(27)30-23/h4-14H,1-3H3,(H,29,31)(H2,27,28,30)
InChIKeyIEWXGGZFCQMVJP-UHFFFAOYSA-N
XLogP6.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 11675382
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-1-methylindole-2-carboxamide
CID 58829057
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-ethyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 142077467
N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 58829569
1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
CID 58829478
N-[3-(2-aminopyrimidin-4-yl)phenyl]-3,5-dibromobenzamide;hydrochloride
CID 162658368
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
CID 118711467
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide (CID 58829165) is 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide is Cc1cc(NC(=O)c2cc(Br)cc(-c3ccc4nc(N)ncc4c3)c2)ccc1C(C)C.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide?
The InChIKey is IEWXGGZFCQMVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O/c1-14(2)22-6-5-21(8-15(22)3)29-24(31)18-10-17(11-20(26)12-18)16-4-7-23-19(9-16)13-28-25(27)30-23/h4-14H,1-3H3,(H,29,31)(H2,27,28,30).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide?
3-(2-aminoquinazolin-6-yl)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide has a molecular weight of 475.39 g/mol, XLogP of 6.33, 4 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)-5-bromo-N-(3-methyl-4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 58829165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).