2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide

C24H22ClN3O5 — CID 40968935

About 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide

2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 40968935) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• PubChem CID: 40968935
• Molecular Formula: C24H22ClN3O5
• Molecular Weight: 467.91 g/mol
• Exact Mass: 467.12
• IUPAC Name: 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
• SMILES: COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc(OC)c1OC
• InChI: InChI=1S/C24H22ClN3O5/c1-31-20-10-14(11-21(32-2)22(20)33-3)13-8-18-16(19(29)9-13)12-26-24(27-18)28-23(30)15-6-4-5-7-17(15)25/h4-7,10-13H,8-9H2,1-3H3,(H,26,27,28,30)/t13-/m1/s1
• InChIKey: OGZSNYGQNCOVLY-CYBMUJFWSA-N
• XLogP: 4.32
• TPSA: 99.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.91
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 40968935) is 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide is COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc(OC)c1OC.

What is the InChIKey of 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

The InChIKey is OGZSNYGQNCOVLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-31-20-10-14(11-21(32-2)22(20)33-3)13-8-18-16(19(29)9-13)12-26-24(27-18)28-23(30)15-6-4-5-7-17(15)25/h4-7,10-13H,8-9H2,1-3H3,(H,26,27,28,30)/t13-/m1/s1.

What are the key properties of 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide?

2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 467.91 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 40968935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).