7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline

C19H18N2 — CID 166359693

IUPAC7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline
SMILESCc1ccc2c(c1)N(Cc1ccc3ccncc3c1)CC2
InChIInChI=1S/C19H18N2/c1-14-2-4-17-7-9-21(19(17)10-14)13-15-3-5-16-6-8-20-12-18(16)11-15/h2-6,8,10-12H,7,9,13H2,1H3
InChIKeyVXQVULQIDMACFG-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.11
Rot. Bonds2

About 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline

7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline (PubChem CID 166359693) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline.

Molecular Properties

Compound Name7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline
PubChem CID166359693
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline
SMILESCc1ccc2c(c1)N(Cc1ccc3ccncc3c1)CC2
InChIInChI=1S/C19H18N2/c1-14-2-4-17-7-9-21(19(17)10-14)13-15-3-5-16-6-8-20-12-18(16)11-15/h2-6,8,10-12H,7,9,13H2,1H3
InChIKeyVXQVULQIDMACFG-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline?
The IUPAC name of 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline (CID 166359693) is 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline.
What is the SMILES notation for 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline?
The canonical SMILES for 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline is Cc1ccc2c(c1)N(Cc1ccc3ccncc3c1)CC2.
What is the InChIKey of 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline?
The InChIKey is VXQVULQIDMACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-2-4-17-7-9-21(19(17)10-14)13-15-3-5-16-6-8-20-12-18(16)11-15/h2-6,8,10-12H,7,9,13H2,1H3.
What are the key properties of 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline?
7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline has a molecular weight of 274.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline is sourced from PubChem (CID 166359693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).