4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride

C19H25Cl2N3O — CID 12786445

IUPAC4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride
SMILESCc1cnc(C)n2c1c(CCN1CCOCC1)c1ccccc12.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14-13-20-15(2)22-18-6-4-3-5-16(18)17(19(14)22)7-8-21-9-11-23-12-10-21;;/h3-6,13H,7-12H2,1-2H3;2*1H
InChIKeyQENFSAMTCFCTLR-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.82
Rot. Bonds3

About 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride

4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride (PubChem CID 12786445) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride
PubChem CID12786445
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride
SMILESCc1cnc(C)n2c1c(CCN1CCOCC1)c1ccccc12.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-14-13-20-15(2)22-18-6-4-3-5-16(18)17(19(14)22)7-8-21-9-11-23-12-10-21;;/h3-6,13H,7-12H2,1-2H3;2*1H
InChIKeyQENFSAMTCFCTLR-UHFFFAOYSA-N
XLogP3.82
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride 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-methyl-5-(2-pyrrolidin-1-ylethyl)-1-(pyrrolidin-1-ylmethyl)pyrimido[1,6-a]indole
CID 12786466
N-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]-N-methylpropan-2-amine
CID 12786430
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
CID 13316106
4-[2-(5-methylimidazo[1,5-a]pyridin-3-yl)ethyl]morpholine
CID 117142372
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
methane;4-(2-phenylethyl)morpholine
CID 143698819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride?
The IUPAC name of 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride (CID 12786445) is 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride is Cc1cnc(C)n2c1c(CCN1CCOCC1)c1ccccc12.Cl.Cl.
What is the InChIKey of 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride?
The InChIKey is QENFSAMTCFCTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-14-13-20-15(2)22-18-6-4-3-5-16(18)17(19(14)22)7-8-21-9-11-23-12-10-21;;/h3-6,13H,7-12H2,1-2H3;2*1H.
What are the key properties of 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride?
4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dimethylpyrimido[1,6-a]indol-5-yl)ethyl]morpholine;dihydrochloride is sourced from PubChem (CID 12786445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).