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

C23H27N3O — CID 68995959

IUPAC4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
SMILESCN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N3O/c1-25-15-19-12-17(14-26-8-10-27-11-9-26)6-7-20(19)21(16-25)23-13-18-4-2-3-5-22(18)24-23/h2-7,12-13,21,24H,8-11,14-16H2,1H3
InChIKeyHQVJLAQZSOPEFI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.58
Rot. Bonds3

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

4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine (PubChem CID 68995959) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
PubChem CID68995959
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
SMILESCN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N3O/c1-25-15-19-12-17(14-26-8-10-27-11-9-26)6-7-20(19)21(16-25)23-13-18-4-2-3-5-22(18)24-23/h2-7,12-13,21,24H,8-11,14-16H2,1H3
InChIKeyHQVJLAQZSOPEFI-UHFFFAOYSA-N
XLogP3.58
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 68999116
7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68996385
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 141465278
4-[(1,6-dimethyl-4-phenyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-2-yl)methyl]morpholine
CID 20551411
4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
1-[4-[[4-(1H-indole-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 126464489
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-[4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylmethanamine
CID 68996951

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine (CID 68995959) is 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine is CN1Cc2cc(CN3CCOCC3)ccc2C(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
The InChIKey is HQVJLAQZSOPEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25-15-19-12-17(14-26-8-10-27-11-9-26)6-7-20(19)21(16-25)23-13-18-4-2-3-5-22(18)24-23/h2-7,12-13,21,24H,8-11,14-16H2,1H3.
What are the key properties of 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine?
4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine has a molecular weight of 361.49 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine is sourced from PubChem (CID 68995959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).