4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C22H25N3O — CID 68993734

IUPAC4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H25N3O/c1-24-14-18-13-19(25-8-10-26-11-9-25)3-4-20(18)21(15-24)16-2-5-22-17(12-16)6-7-23-22/h2-7,12-13,21,23H,8-11,14-15H2,1H3
InChIKeyTWPOMTORHHOCPD-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.58
Rot. Bonds2

About 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 68993734) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID68993734
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C22H25N3O/c1-24-14-18-13-19(25-8-10-26-11-9-25)3-4-20(18)21(15-24)16-2-5-22-17(12-16)6-7-23-22/h2-7,12-13,21,23H,8-11,14-15H2,1H3
InChIKeyTWPOMTORHHOCPD-UHFFFAOYSA-N
XLogP3.58
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 68993734) is 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is CN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is TWPOMTORHHOCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24-14-18-13-19(25-8-10-26-11-9-25)3-4-20(18)21(15-24)16-2-5-22-17(12-16)6-7-23-22/h2-7,12-13,21,23H,8-11,14-15H2,1H3.
What are the key properties of 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 347.46 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 68993734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).