N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide

C20H13Cl2IN4O2 — CID 1010776

About N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide

N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide (PubChem CID 1010776) has the molecular formula C20H13Cl2IN4O2 and a molecular weight of 539.16 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
• PubChem CID: 1010776
• Molecular Formula: C20H13Cl2IN4O2
• Molecular Weight: 539.16 g/mol
• Exact Mass: 537.95
• IUPAC Name: N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
• SMILES: O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Cl)c1Cl)c1ccncc1
• InChI: InChI=1S/C20H13Cl2IN4O2/c21-15-3-1-2-13(17(15)22)18-25-16-5-4-12(23)10-14(16)20(29)27(18)26-19(28)11-6-8-24-9-7-11/h1-10,18,25H,(H,26,28)/t18-/m1/s1
• InChIKey: BLWVAYAWEOFHIA-GOSISDBHSA-N
• XLogP: 4.90
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.16
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide (CID 1010776) is N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide is O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Cl)c1Cl)c1ccncc1.

What is the InChIKey of N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?

The InChIKey is BLWVAYAWEOFHIA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H13Cl2IN4O2/c21-15-3-1-2-13(17(15)22)18-25-16-5-4-12(23)10-14(16)20(29)27(18)26-19(28)11-6-8-24-9-7-11/h1-10,18,25H,(H,26,28)/t18-/m1/s1.

What are the key properties of N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide?

N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide has a molecular weight of 539.16 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 1010776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).