N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine

C19H12ClFN4 — CID 135128004

IUPACN-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine
SMILESFc1ccc(Nc2nc(-c3ccnnc3)cc3ccccc23)cc1Cl
InChIInChI=1S/C19H12ClFN4/c20-16-10-14(5-6-17(16)21)24-19-15-4-2-1-3-12(15)9-18(25-19)13-7-8-22-23-11-13/h1-11H,(H,24,25)
InChIKeyWQVJTLILKYZNOE-UHFFFAOYSA-N
MW350.78 g/mol
LogP5.23
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine

N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine (PubChem CID 135128004) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine
PubChem CID135128004
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine
SMILESFc1ccc(Nc2nc(-c3ccnnc3)cc3ccccc23)cc1Cl
InChIInChI=1S/C19H12ClFN4/c20-16-10-14(5-6-17(16)21)24-19-15-4-2-1-3-12(15)9-18(25-19)13-7-8-22-23-11-13/h1-11H,(H,24,25)
InChIKeyWQVJTLILKYZNOE-UHFFFAOYSA-N
XLogP5.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.78
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)isoquinolin-1-amine
CID 58658862
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-(3-chloro-4-fluorophenyl)quinolin-3-amine
CID 82536187
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
N-(3-chloro-4-fluorophenyl)furo[2,3-d]pyridazin-7-amine
CID 167924531
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
3-chloro-N-(3-chlorophenyl)isoquinolin-1-amine
CID 57429047
7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine
CID 71180993
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine (CID 135128004) is N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine is Fc1ccc(Nc2nc(-c3ccnnc3)cc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine?
The InChIKey is WQVJTLILKYZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/c20-16-10-14(5-6-17(16)21)24-19-15-4-2-1-3-12(15)9-18(25-19)13-7-8-22-23-11-13/h1-11H,(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine?
N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine has a molecular weight of 350.78 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-pyridazin-4-ylisoquinolin-1-amine is sourced from PubChem (CID 135128004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).