3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide

C23H20N5O3- — CID 58829691

IUPAC3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(N([O-])O)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C23H20N5O3/c1-13-3-5-16(22(29)26-21-11-18(28(30)31)7-4-14(21)2)10-19(13)15-6-8-20-17(9-15)12-25-23(24)27-20/h3-12,30H,1-2H3,(H,26,29)(H2,24,25,27)/q-1
InChIKeyCLMNUIGGWKFXAD-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.44
Rot. Bonds4

About 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide

3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide (PubChem CID 58829691) has the molecular formula C23H20N5O3- and a molecular weight of 414.45 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide
PubChem CID58829691
Molecular FormulaC23H20N5O3-
Molecular Weight414.45 g/mol
Exact Mass414.16
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(N([O-])O)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C23H20N5O3/c1-13-3-5-16(22(29)26-21-11-18(28(30)31)7-4-14(21)2)10-19(13)15-6-8-20-17(9-15)12-25-23(24)27-20/h3-12,30H,1-2H3,(H,26,29)(H2,24,25,27)/q-1
InChIKeyCLMNUIGGWKFXAD-UHFFFAOYSA-N
XLogP4.44
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoquinazolin-6-yl)-4-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 69461436
3-(2-aminoquinazolin-6-yl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 58829952
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 58829783
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-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 139541311
3-(2-aminoquinazolin-6-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 58829896
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-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide (CID 58829691) is 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide is Cc1ccc(N([O-])O)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide?
The InChIKey is CLMNUIGGWKFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N5O3/c1-13-3-5-16(22(29)26-21-11-18(28(30)31)7-4-14(21)2)10-19(13)15-6-8-20-17(9-15)12-25-23(24)27-20/h3-12,30H,1-2H3,(H,26,29)(H2,24,25,27)/q-1.
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide?
3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide has a molecular weight of 414.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-[5-[hydroxy(oxido)amino]-2-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 58829691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).