1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride

C19H27ClN2O2 — CID 3044851

IUPAC1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride
SMILESCl.Cn1c2c(c3ccccc31)CCOC2(C)CCN1CCOCC1
InChIInChI=1S/C19H26N2O2.ClH/c1-19(8-9-21-10-13-22-14-11-21)18-16(7-12-23-19)15-5-3-4-6-17(15)20(18)2;/h3-6H,7-14H2,1-2H3;1H
InChIKeyYBDSTRBKYWHPRV-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.11
Rot. Bonds3

About 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride

1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride (PubChem CID 3044851) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride
PubChem CID3044851
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride
SMILESCl.Cn1c2c(c3ccccc31)CCOC2(C)CCN1CCOCC1
InChIInChI=1S/C19H26N2O2.ClH/c1-19(8-9-21-10-13-22-14-11-21)18-16(7-12-23-19)15-5-3-4-6-17(15)20(18)2;/h3-6H,7-14H2,1-2H3;1H
InChIKeyYBDSTRBKYWHPRV-UHFFFAOYSA-N
XLogP3.11
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride 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 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride?
The IUPAC name of 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride (CID 3044851) is 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride?
The canonical SMILES for 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride is Cl.Cn1c2c(c3ccccc31)CCOC2(C)CCN1CCOCC1.
What is the InChIKey of 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride?
The InChIKey is YBDSTRBKYWHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-19(8-9-21-10-13-22-14-11-21)18-16(7-12-23-19)15-5-3-4-6-17(15)20(18)2;/h3-6H,7-14H2,1-2H3;1H.
What are the key properties of 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride?
1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-1-(2-morpholin-4-ylethyl)-3,4-dihydropyrano[3,4-b]indole;hydrochloride is sourced from PubChem (CID 3044851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).