(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone

C18H15Cl2N3O — CID 59640652

IUPAC(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone
SMILESCc1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2
InChIInChI=1S/C18H15Cl2N3O/c1-10-15(19)6-13-9-23(5-4-14(13)17(10)20)18(24)11-2-3-12-8-21-22-16(12)7-11/h2-3,6-8H,4-5,9H2,1H3,(H,21,22)
InChIKeyXOTWCVXFUNMCSL-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.38
Rot. Bonds1

About (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone

(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone (PubChem CID 59640652) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone
PubChem CID59640652
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone
SMILESCc1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2
InChIInChI=1S/C18H15Cl2N3O/c1-10-15(19)6-13-9-23(5-4-14(13)17(10)20)18(24)11-2-3-12-8-21-22-16(12)7-11/h2-3,6-8H,4-5,9H2,1H3,(H,21,22)
InChIKeyXOTWCVXFUNMCSL-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone?
The IUPAC name of (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone (CID 59640652) is (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone.
What is the SMILES notation for (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone?
The canonical SMILES for (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone is Cc1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2.
What is the InChIKey of (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone?
The InChIKey is XOTWCVXFUNMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-10-15(19)6-13-9-23(5-4-14(13)17(10)20)18(24)11-2-3-12-8-21-22-16(12)7-11/h2-3,6-8H,4-5,9H2,1H3,(H,21,22).
What are the key properties of (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone?
(5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone has a molecular weight of 360.24 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 59640652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).