(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine

C20H23N3O2 — CID 143880426

IUPAC(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine
SMILESC=Cc1ccc(OC[C@@H]2CN(C)CCO2)c2[nH]c3ncc(C)cc3c12
InChIInChI=1S/C20H23N3O2/c1-4-14-5-6-17(25-12-15-11-23(3)7-8-24-15)19-18(14)16-9-13(2)10-21-20(16)22-19/h4-6,9-10,15H,1,7-8,11-12H2,2-3H3,(H,21,22)/t15-/m0/s1
InChIKeyHVYSSNUPHGVBBT-HNNXBMFYSA-N
MW337.42 g/mol
LogP3.38
Rot. Bonds4

About (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine

(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine (PubChem CID 143880426) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine
PubChem CID143880426
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine
SMILESC=Cc1ccc(OC[C@@H]2CN(C)CCO2)c2[nH]c3ncc(C)cc3c12
InChIInChI=1S/C20H23N3O2/c1-4-14-5-6-17(25-12-15-11-23(3)7-8-24-15)19-18(14)16-9-13(2)10-21-20(16)22-19/h4-6,9-10,15H,1,7-8,11-12H2,2-3H3,(H,21,22)/t15-/m0/s1
InChIKeyHVYSSNUPHGVBBT-HNNXBMFYSA-N
XLogP3.38
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine with MolForge

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Related Compounds

2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
N-[[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]ethanamine
CID 79171680
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
4-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
CID 70907046
(1R)-1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79172537
N-cyclopropyl-N-[3-[3-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-9H-pyrido[2,3-b]indol-5-yl]phenyl]formamide
CID 141247930
2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde
CID 79175399
(6S)-6-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxymethyl]-4-methyl-1,3,2,4-dioxathiazinane 2,2-dioxide
CID 89072171
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
1-[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79172273
2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
CID 79171247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine?
The IUPAC name of (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine (CID 143880426) is (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine.
What is the SMILES notation for (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine?
The canonical SMILES for (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine is C=Cc1ccc(OC[C@@H]2CN(C)CCO2)c2[nH]c3ncc(C)cc3c12.
What is the InChIKey of (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine?
The InChIKey is HVYSSNUPHGVBBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-14-5-6-17(25-12-15-11-23(3)7-8-24-15)19-18(14)16-9-13(2)10-21-20(16)22-19/h4-6,9-10,15H,1,7-8,11-12H2,2-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine?
(2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine has a molecular weight of 337.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethenyl-3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxymethyl]-4-methylmorpholine is sourced from PubChem (CID 143880426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).