2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide

C28H23N5O — CID 58829887

IUPAC2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide
SMILESCNc1ncc2cc(-c3ccc(NC(=O)c4ccccc4Nc4ccccc4)cc3)ccc2n1
InChIInChI=1S/C28H23N5O/c1-29-28-30-18-21-17-20(13-16-25(21)33-28)19-11-14-23(15-12-19)32-27(34)24-9-5-6-10-26(24)31-22-7-3-2-4-8-22/h2-18,31H,1H3,(H,32,34)(H,29,30,33)
InChIKeyPHLZWGLSEXLHDI-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.33
Rot. Bonds6

About 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide

2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide (PubChem CID 58829887) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide
PubChem CID58829887
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide
SMILESCNc1ncc2cc(-c3ccc(NC(=O)c4ccccc4Nc4ccccc4)cc3)ccc2n1
InChIInChI=1S/C28H23N5O/c1-29-28-30-18-21-17-20(13-16-25(21)33-28)19-11-14-23(15-12-19)32-27(34)24-9-5-6-10-26(24)31-22-7-3-2-4-8-22/h2-18,31H,1H3,(H,32,34)(H,29,30,33)
InChIKeyPHLZWGLSEXLHDI-UHFFFAOYSA-N
XLogP6.33
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779489
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
2-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58829805
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-anilino-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 54784907
N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
CID 59531640
2-(3-amino-4-methylanilino)-4-(methylamino)-N-[2-methyl-5-[(3-phenylbenzoyl)amino]phenyl]pyrimidine-5-carboxamide
CID 122633872

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide?
The IUPAC name of 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide (CID 58829887) is 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide.
What is the SMILES notation for 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide?
The canonical SMILES for 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide is CNc1ncc2cc(-c3ccc(NC(=O)c4ccccc4Nc4ccccc4)cc3)ccc2n1.
What is the InChIKey of 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide?
The InChIKey is PHLZWGLSEXLHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-29-28-30-18-21-17-20(13-16-25(21)33-28)19-11-14-23(15-12-19)32-27(34)24-9-5-6-10-26(24)31-22-7-3-2-4-8-22/h2-18,31H,1H3,(H,32,34)(H,29,30,33).
What are the key properties of 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide?
2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide has a molecular weight of 445.53 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-[2-(methylamino)quinazolin-6-yl]phenyl]benzamide is sourced from PubChem (CID 58829887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).