2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide

C₂₆H₁₈ClN₅O — CID 71181011

About 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide (PubChem CID 71181011) has the molecular formula C₂₆H₁₈ClN₅O and a molecular weight of 451.92 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide.

Molecular Properties

• Compound Name: 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
• PubChem CID: 71181011
• Molecular Formula: C₂₆H₁₈ClN₅O
• Molecular Weight: 451.92 g/mol
• Exact Mass: 451.12
• IUPAC Name: 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
• SMILES: O=C(Nc1ccccc1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
• InChI: InChI=1S/C26H18ClN5O/c27-18-12-13-23-21(15-18)25(32-24(30-23)17-7-6-14-28-16-17)31-22-11-5-4-10-20(22)26(33)29-19-8-2-1-3-9-19/h1-16H,(H,29,33)(H,30,31,32)
• InChIKey: FFTCENRXNHNEJP-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.92
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?

The IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide (CID 71181011) is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide.

What is the SMILES notation for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?

The canonical SMILES for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12.

What is the InChIKey of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?

The InChIKey is FFTCENRXNHNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5O/c27-18-12-13-23-21(15-18)25(32-24(30-23)17-7-6-14-28-16-17)31-22-11-5-4-10-20(22)26(33)29-19-8-2-1-3-9-19/h1-16H,(H,29,33)(H,30,31,32).

What are the key properties of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide?

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide has a molecular weight of 451.92 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 71181011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71181011 — identifiers, structure, computed properties (public domain)

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