3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C26H25N5O2 — CID 58829111

IUPAC3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C26H25N5O2/c1-17-2-3-19(15-22(17)18-4-9-24-23(14-18)25(27)29-16-28-24)26(32)30-20-5-7-21(8-6-20)31-10-12-33-13-11-31/h2-9,14-16H,10-13H2,1H3,(H,30,32)(H2,27,28,29)
InChIKeyBZSQLPLUHWJQQL-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.28
Rot. Bonds4

About 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 58829111) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID58829111
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C26H25N5O2/c1-17-2-3-19(15-22(17)18-4-9-24-23(14-18)25(27)29-16-28-24)26(32)30-20-5-7-21(8-6-20)31-10-12-33-13-11-31/h2-9,14-16H,10-13H2,1H3,(H,30,32)(H2,27,28,29)
InChIKeyBZSQLPLUHWJQQL-UHFFFAOYSA-N
XLogP4.28
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374524
4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 67373018
3-(4-aminoquinazolin-6-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829464
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 25221578
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 58829111) is 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc2ncnc(N)c2c1.
What is the InChIKey of 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is BZSQLPLUHWJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-2-3-19(15-22(17)18-4-9-24-23(14-18)25(27)29-16-28-24)26(32)30-20-5-7-21(8-6-20)31-10-12-33-13-11-31/h2-9,14-16H,10-13H2,1H3,(H,30,32)(H2,27,28,29).
What are the key properties of 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 58829111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).