6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

C14H12Cl2N4O — CID 75377748

IUPAC6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCc3cc(Cl)cc(Cl)c3C2)nn1
InChIInChI=1S/C14H12Cl2N4O/c15-9-5-8-3-4-20(7-10(8)11(16)6-9)13-2-1-12(14(17)21)18-19-13/h1-2,5-6H,3-4,7H2,(H2,17,21)
InChIKeyXMKJPAZNMVOBGX-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.44
Rot. Bonds2

About 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (PubChem CID 75377748) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
PubChem CID75377748
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCc3cc(Cl)cc(Cl)c3C2)nn1
InChIInChI=1S/C14H12Cl2N4O/c15-9-5-8-3-4-20(7-10(8)11(16)6-9)13-2-1-12(14(17)21)18-19-13/h1-2,5-6H,3-4,7H2,(H2,17,21)
InChIKeyXMKJPAZNMVOBGX-UHFFFAOYSA-N
XLogP2.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide
CID 133479996
(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 122152431
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121816
(2S)-2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentan-1-one
CID 119813567
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120637679
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119813552
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
6-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971166
6-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyridazine-3-carboxamide
CID 95971169

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (CID 75377748) is 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is NC(=O)c1ccc(N2CCc3cc(Cl)cc(Cl)c3C2)nn1.
What is the InChIKey of 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The InChIKey is XMKJPAZNMVOBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-9-5-8-3-4-20(7-10(8)11(16)6-9)13-2-1-12(14(17)21)18-19-13/h1-2,5-6H,3-4,7H2,(H2,17,21).
What are the key properties of 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 75377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).