4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline

C18H18N2 — CID 68995695

IUPAC4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccn3cccc3c2)C1
InChIInChI=1S/C18H18N2/c1-19-12-15-5-2-3-7-17(15)18(13-19)14-8-10-20-9-4-6-16(20)11-14/h2-11,18H,12-13H2,1H3
InChIKeyDCHNRTKHHSCSIZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.52
Rot. Bonds1

About 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline

4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68995695) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68995695
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccn3cccc3c2)C1
InChIInChI=1S/C18H18N2/c1-19-12-15-5-2-3-7-17(15)18(13-19)14-8-10-20-9-4-6-16(20)11-14/h2-11,18H,12-13H2,1H3
InChIKeyDCHNRTKHHSCSIZ-UHFFFAOYSA-N
XLogP3.52
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68995695) is 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccn3cccc3c2)C1.
What is the InChIKey of 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DCHNRTKHHSCSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-19-12-15-5-2-3-7-17(15)18(13-19)14-8-10-20-9-4-6-16(20)11-14/h2-11,18H,12-13H2,1H3.
What are the key properties of 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline?
4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 262.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).