4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C20H18ClN — CID 68995503

IUPAC4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cccc(Cl)c3c2)C1
InChIInChI=1S/C20H18ClN/c1-22-12-16-5-2-3-7-17(16)19(13-22)15-10-9-14-6-4-8-20(21)18(14)11-15/h2-11,19H,12-13H2,1H3
InChIKeyWGULELCTOKUHGM-UHFFFAOYSA-N
MW307.82 g/mol
LogP5.07
Rot. Bonds1

About 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68995503) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68995503
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC Name4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3cccc(Cl)c3c2)C1
InChIInChI=1S/C20H18ClN/c1-22-12-16-5-2-3-7-17(16)19(13-22)15-10-9-14-6-4-8-20(21)18(14)11-15/h2-11,19H,12-13H2,1H3
InChIKeyWGULELCTOKUHGM-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68995503) is 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc3cccc(Cl)c3c2)C1.
What is the InChIKey of 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WGULELCTOKUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c1-22-12-16-5-2-3-7-17(16)19(13-22)15-10-9-14-6-4-8-20(21)18(14)11-15/h2-11,19H,12-13H2,1H3.
What are the key properties of 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 307.82 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).