3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide

C24H21ClFN5O6S — CID 149314954

About 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide

3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide (PubChem CID 149314954) has the molecular formula C24H21ClFN5O6S and a molecular weight of 561.98 g/mol. Its IUPAC name is 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide
• PubChem CID: 149314954
• Molecular Formula: C24H21ClFN5O6S
• Molecular Weight: 561.98 g/mol
• Exact Mass: 561.09
• IUPAC Name: 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide
• SMILES: CNC(=O)C(O)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O
• InChI: InChI=1S/C24H21ClFN5O6S/c1-27-22(33)20(32)11-31-12-29-18-5-3-13(7-16(18)24(31)34)14-8-19(23(37-2)28-10-14)30-38(35,36)21-6-4-15(26)9-17(21)25/h3-10,12,20,30,32H,11H2,1-2H3,(H,27,33)
• InChIKey: XZIBNIWDYRGLFM-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 152.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.98
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide?

The IUPAC name of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide (CID 149314954) is 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide.

What is the SMILES notation for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide?

The canonical SMILES for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)cc2c1=O.

What is the InChIKey of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide?

The InChIKey is XZIBNIWDYRGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O6S/c1-27-22(33)20(32)11-31-12-29-18-5-3-13(7-16(18)24(31)34)14-8-19(23(37-2)28-10-14)30-38(35,36)21-6-4-15(26)9-17(21)25/h3-10,12,20,30,32H,11H2,1-2H3,(H,27,33).

What are the key properties of 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide?

3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide has a molecular weight of 561.98 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 149314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).