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

C20H13Cl2IN4O2 — CID 1010776

IUPACN-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Cl)c1Cl)c1ccncc1
InChIInChI=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
InChIKeyBLWVAYAWEOFHIA-GOSISDBHSA-N
MW539.16 g/mol
LogP4.90
Rot. Bonds3

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 NameN-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
PubChem CID1010776
Molecular FormulaC20H13Cl2IN4O2
Molecular Weight539.16 g/mol
Exact Mass537.95
IUPAC NameN-[(2R)-2-(2,3-dichlorophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Cl)c1Cl)c1ccncc1
InChIInChI=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
InChIKeyBLWVAYAWEOFHIA-GOSISDBHSA-N
XLogP4.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.16
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).