6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C17H15Cl2N3 — CID 170347631

IUPAC6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H15Cl2N3/c1-22-8-14(10-2-3-11-7-20-21-17(11)4-10)13-5-12(18)6-16(19)15(13)9-22/h2-7,14H,8-9H2,1H3,(H,20,21)
InChIKeyPUUCMCQYPDVERM-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.45
Rot. Bonds1

About 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 170347631) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID170347631
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H15Cl2N3/c1-22-8-14(10-2-3-11-7-20-21-17(11)4-10)13-5-12(18)6-16(19)15(13)9-22/h2-7,14H,8-9H2,1H3,(H,20,21)
InChIKeyPUUCMCQYPDVERM-UHFFFAOYSA-N
XLogP4.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 68994309
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996534
4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonyl chloride;hydrochloride
CID 135207528
4-[4-(1H-indazol-6-yl)-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68997653
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanimine
CID 70905988
5-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylbenzenesulfonyl chloride
CID 153293652
6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 141072070
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid
CID 22386852
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 171049008

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 170347631) is 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PUUCMCQYPDVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-22-8-14(10-2-3-11-7-20-21-17(11)4-10)13-5-12(18)6-16(19)15(13)9-22/h2-7,14H,8-9H2,1H3,(H,20,21).
What are the key properties of 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 332.23 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 170347631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).