N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine

C19H13Cl2N5O — CID 71180462

IUPACN-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3ccnnc3)nc(Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C19H13Cl2N5O/c1-27-13-3-5-17-14(9-13)19(24-12-2-4-15(20)16(21)8-12)26-18(25-17)11-6-7-22-23-10-11/h2-10H,1H3,(H,24,25,26)
InChIKeyZUSOSQASPKCIJJ-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.15
Rot. Bonds4

About N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine

N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine (PubChem CID 71180462) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
PubChem CID71180462
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC NameN-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
SMILESCOc1ccc2nc(-c3ccnnc3)nc(Nc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C19H13Cl2N5O/c1-27-13-3-5-17-14(9-13)19(24-12-2-4-15(20)16(21)8-12)26-18(25-17)11-6-7-22-23-10-11/h2-10H,1H3,(H,24,25,26)
InChIKeyZUSOSQASPKCIJJ-UHFFFAOYSA-N
XLogP5.15
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine (CID 71180462) is N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine is COc1ccc2nc(-c3ccnnc3)nc(Nc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine?
The InChIKey is ZUSOSQASPKCIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-27-13-3-5-17-14(9-13)19(24-12-2-4-15(20)16(21)8-12)26-18(25-17)11-6-7-22-23-10-11/h2-10H,1H3,(H,24,25,26).
What are the key properties of N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine?
N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine has a molecular weight of 398.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine is sourced from PubChem (CID 71180462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).