4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide

C27H23ClN6O2 — CID 129166180

About 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide

4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide (PubChem CID 129166180) has the molecular formula C27H23ClN6O2 and a molecular weight of 498.97 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide
• PubChem CID: 129166180
• Molecular Formula: C27H23ClN6O2
• Molecular Weight: 498.97 g/mol
• Exact Mass: 498.16
• IUPAC Name: 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2nc(NCc3cccc(Cl)c3)c3cc(-c4c(C)noc4C)ccc3n2)cn1
• InChI: InChI=1S/C27H23ClN6O2/c1-15-7-9-21(14-29-15)31-27(35)26-32-23-10-8-19(24-16(2)34-36-17(24)3)12-22(23)25(33-26)30-13-18-5-4-6-20(28)11-18/h4-12,14H,13H2,1-3H3,(H,31,35)(H,30,32,33)
• InChIKey: GQZDYUDYJSBNQL-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 105.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.97
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide?

The IUPAC name of 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide (CID 129166180) is 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide.

What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide?

The canonical SMILES for 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide is Cc1ccc(NC(=O)c2nc(NCc3cccc(Cl)c3)c3cc(-c4c(C)noc4C)ccc3n2)cn1.

What is the InChIKey of 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide?

The InChIKey is GQZDYUDYJSBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O2/c1-15-7-9-21(14-29-15)31-27(35)26-32-23-10-8-19(24-16(2)34-36-17(24)3)12-22(23)25(33-26)30-13-18-5-4-6-20(28)11-18/h4-12,14H,13H2,1-3H3,(H,31,35)(H,30,32,33).

What are the key properties of 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide?

4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide is sourced from PubChem (CID 129166180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).