4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine

C22H25N3O — CID 68994860

IUPAC4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2cc3ccccn3c2)C1
InChIInChI=1S/C22H25N3O/c1-23-14-17-12-20(24-8-10-26-11-9-24)5-6-21(17)22(16-23)18-13-19-4-2-3-7-25(19)15-18/h2-7,12-13,15,22H,8-11,14,16H2,1H3
InChIKeyWKQGTOULPKLENU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.35
Rot. Bonds2

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

4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine (PubChem CID 68994860) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine.

Molecular Properties

Compound Name4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
PubChem CID68994860
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
SMILESCN1Cc2cc(N3CCOCC3)ccc2C(c2cc3ccccn3c2)C1
InChIInChI=1S/C22H25N3O/c1-23-14-17-12-20(24-8-10-26-11-9-24)5-6-21(17)22(16-23)18-13-19-4-2-3-7-25(19)15-18/h2-7,12-13,15,22H,8-11,14,16H2,1H3
InChIKeyWKQGTOULPKLENU-UHFFFAOYSA-N
XLogP3.35
TPSA20.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

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-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995695
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
4-indolizin-6-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11615894
4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68999423
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994440
4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
CID 68995714
4-[6-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994396
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739

Frequently Asked Questions

What is the IUPAC name of 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The IUPAC name of 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine (CID 68994860) is 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine.
What is the SMILES notation for 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The canonical SMILES for 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine is CN1Cc2cc(N3CCOCC3)ccc2C(c2cc3ccccn3c2)C1.
What is the InChIKey of 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
The InChIKey is WKQGTOULPKLENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-23-14-17-12-20(24-8-10-26-11-9-24)5-6-21(17)22(16-23)18-13-19-4-2-3-7-25(19)15-18/h2-7,12-13,15,22H,8-11,14,16H2,1H3.
What are the key properties of 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine?
4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine has a molecular weight of 347.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine is sourced from PubChem (CID 68994860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).