ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline

C19H20N2 — CID 144601880

IUPACethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline
SMILESC1=Cc2c(cncc2-c2ccc3[nH]ccc3c2)CC1.CC
InChIInChI=1S/C17H14N2.C2H6/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17;1-2/h2,4-11,19H,1,3H2;1-2H3
InChIKeyRIVLUHVYYCCJHC-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.22
Rot. Bonds1

About ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline

ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline (PubChem CID 144601880) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline.

Molecular Properties

Compound Nameethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline
PubChem CID144601880
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Nameethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline
SMILESC1=Cc2c(cncc2-c2ccc3[nH]ccc3c2)CC1.CC
InChIInChI=1S/C17H14N2.C2H6/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17;1-2/h2,4-11,19H,1,3H2;1-2H3
InChIKeyRIVLUHVYYCCJHC-UHFFFAOYSA-N
XLogP5.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline?
The IUPAC name of ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline (CID 144601880) is ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline.
What is the SMILES notation for ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline?
The canonical SMILES for ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline is C1=Cc2c(cncc2-c2ccc3[nH]ccc3c2)CC1.CC.
What is the InChIKey of ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline?
The InChIKey is RIVLUHVYYCCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.C2H6/c1-2-4-15-14(3-1)10-18-11-16(15)12-5-6-17-13(9-12)7-8-19-17;1-2/h2,4-11,19H,1,3H2;1-2H3.
What are the key properties of ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline?
ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline has a molecular weight of 276.38 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1H-indol-5-yl)-7,8-dihydroisoquinoline is sourced from PubChem (CID 144601880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).