(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C26H26FN5O5S — CID 147547884

About (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 147547884) has the molecular formula C26H26FN5O5S and a molecular weight of 539.59 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• PubChem CID: 147547884
• Molecular Formula: C26H26FN5O5S
• Molecular Weight: 539.59 g/mol
• Exact Mass: 539.16
• IUPAC Name: (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• SMILES: CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1=O
• InChI: InChI=1S/C26H26FN5O5S/c1-15-5-7-19(27)11-23(15)38(35,36)31-22-10-18(12-29-25(22)37-4)17-6-8-21-20(9-17)26(34)32(14-30-21)13-16(2)24(33)28-3/h5-12,14,16,31H,13H2,1-4H3,(H,28,33)/t16-/m1/s1
• InChIKey: FQEOTCWNYQUVLO-MRXNPFEDSA-N
• XLogP: 3.10
• TPSA: 132.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.59
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The IUPAC name of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 147547884) is (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The canonical SMILES for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4cc(F)ccc4C)c3)cc2c1=O.

What is the InChIKey of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The InChIKey is FQEOTCWNYQUVLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H26FN5O5S/c1-15-5-7-19(27)11-23(15)38(35,36)31-22-10-18(12-29-25(22)37-4)17-6-8-21-20(9-17)26(34)32(14-30-21)13-16(2)24(33)28-3/h5-12,14,16,31H,13H2,1-4H3,(H,28,33)/t16-/m1/s1.

What are the key properties of (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 539.59 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 147547884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).