7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine

C18H10Cl3N5 — CID 71180993

IUPAC7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine
SMILESClc1cc(Cl)cc(Nc2nc(-c3ccnnc3)nc3cc(Cl)ccc23)c1
InChIInChI=1S/C18H10Cl3N5/c19-11-1-2-15-16(8-11)25-17(10-3-4-22-23-9-10)26-18(15)24-14-6-12(20)5-13(21)7-14/h1-9H,(H,24,25,26)
InChIKeyMIIBWFHHHTZMIE-UHFFFAOYSA-N
MW402.67 g/mol
LogP5.79
Rot. Bonds3

About 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine

7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine (PubChem CID 71180993) has the molecular formula C18H10Cl3N5 and a molecular weight of 402.67 g/mol. Its IUPAC name is 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine
PubChem CID71180993
Molecular FormulaC18H10Cl3N5
Molecular Weight402.67 g/mol
Exact Mass401.00
IUPAC Name7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine
SMILESClc1cc(Cl)cc(Nc2nc(-c3ccnnc3)nc3cc(Cl)ccc23)c1
InChIInChI=1S/C18H10Cl3N5/c19-11-1-2-15-16(8-11)25-17(10-3-4-22-23-9-10)26-18(15)24-14-6-12(20)5-13(21)7-14/h1-9H,(H,24,25,26)
InChIKeyMIIBWFHHHTZMIE-UHFFFAOYSA-N
XLogP5.79
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71180723
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
7-chloro-N-(1H-indazol-5-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 10292688
7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144500888
7-chloro-N-(3,4-dichlorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 89347927
N-(3,4-dichlorophenyl)-6-methoxy-2-pyridazin-4-ylquinazolin-4-amine
CID 71180462
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045
7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985
N-(3,5-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71273959
6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
CID 144500597
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine (CID 71180993) is 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine is Clc1cc(Cl)cc(Nc2nc(-c3ccnnc3)nc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine?
The InChIKey is MIIBWFHHHTZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N5/c19-11-1-2-15-16(8-11)25-17(10-3-4-22-23-9-10)26-18(15)24-14-6-12(20)5-13(21)7-14/h1-9H,(H,24,25,26).
What are the key properties of 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine?
7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine has a molecular weight of 402.67 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine is sourced from PubChem (CID 71180993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).