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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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453

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).