2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine

C16H17N3O — CID 116986104

IUPAC2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
SMILESc1cc2[nH]c3cc(CC4CNCCO4)ccc3c2cn1
InChIInChI=1S/C16H17N3O/c1-2-13-14-10-17-4-3-15(14)19-16(13)8-11(1)7-12-9-18-5-6-20-12/h1-4,8,10,12,18-19H,5-7,9H2
InChIKeyLZJYRODOTQOENB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.25
Rot. Bonds2

About 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine

2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine (PubChem CID 116986104) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
PubChem CID116986104
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
SMILESc1cc2[nH]c3cc(CC4CNCCO4)ccc3c2cn1
InChIInChI=1S/C16H17N3O/c1-2-13-14-10-17-4-3-15(14)19-16(13)8-11(1)7-12-9-18-5-6-20-12/h1-4,8,10,12,18-19H,5-7,9H2
InChIKeyLZJYRODOTQOENB-UHFFFAOYSA-N
XLogP2.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
CID 162392059
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
2-(2H-pyrazolo[4,3-c]pyridin-3-yl)morpholine
CID 174775916
2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine
CID 174937811
2-[(1-ethylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434957

Frequently Asked Questions

What is the IUPAC name of 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine?
The IUPAC name of 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine (CID 116986104) is 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine.
What is the SMILES notation for 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine?
The canonical SMILES for 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine is c1cc2[nH]c3cc(CC4CNCCO4)ccc3c2cn1.
What is the InChIKey of 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine?
The InChIKey is LZJYRODOTQOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-13-14-10-17-4-3-15(14)19-16(13)8-11(1)7-12-9-18-5-6-20-12/h1-4,8,10,12,18-19H,5-7,9H2.
What are the key properties of 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine?
2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine has a molecular weight of 267.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine is sourced from PubChem (CID 116986104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).