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

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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).