4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine

C17H19N3O — CID 13316106

IUPAC4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
SMILESCn1c2ccccc2c2cnc(CN3CCOCC3)cc21
InChIInChI=1S/C17H19N3O/c1-19-16-5-3-2-4-14(16)15-11-18-13(10-17(15)19)12-20-6-8-21-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyBDRVPQZAWHCTBP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds2

About 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine

4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine (PubChem CID 13316106) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
PubChem CID13316106
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
SMILESCn1c2ccccc2c2cnc(CN3CCOCC3)cc21
InChIInChI=1S/C17H19N3O/c1-19-16-5-3-2-4-14(16)15-11-18-13(10-17(15)19)12-20-6-8-21-9-7-20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyBDRVPQZAWHCTBP-UHFFFAOYSA-N
XLogP2.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-octylpyrido[4,3-b]indole
CID 11426410
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
CID 91211472
4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine
CID 15627234
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
CID 117192727
1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
CID 22217789
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine (CID 13316106) is 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine is Cn1c2ccccc2c2cnc(CN3CCOCC3)cc21.
What is the InChIKey of 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine?
The InChIKey is BDRVPQZAWHCTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19-16-5-3-2-4-14(16)15-11-18-13(10-17(15)19)12-20-6-8-21-9-7-20/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine?
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine has a molecular weight of 281.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine is sourced from PubChem (CID 13316106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).