7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline

C20H16ClNO — CID 46881352

IUPAC7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1ccc3ccccc3c1)=NCC2
InChIInChI=1S/C20H16ClNO/c1-23-19-11-15-8-9-22-20(17(15)12-18(19)21)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-12H,8-9H2,1H3
InChIKeyZXKUMSSEASFKPO-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.90
Rot. Bonds2

About 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline

7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline (PubChem CID 46881352) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline
PubChem CID46881352
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1ccc3ccccc3c1)=NCC2
InChIInChI=1S/C20H16ClNO/c1-23-19-11-15-8-9-22-20(17(15)12-18(19)21)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-12H,8-9H2,1H3
InChIKeyZXKUMSSEASFKPO-UHFFFAOYSA-N
XLogP4.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline (CID 46881352) is 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline is COc1cc2c(cc1Cl)C(c1ccc3ccccc3c1)=NCC2.
What is the InChIKey of 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline?
The InChIKey is ZXKUMSSEASFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-23-19-11-15-8-9-22-20(17(15)12-18(19)21)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline?
7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline has a molecular weight of 321.81 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).