4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

C19H19F4N3O2 — CID 146372923

IUPAC4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESCOc1cc2c(cc1F)c1ccnc(C(F)(F)F)c1n2CCN1CCOCC1
InChIInChI=1S/C19H19F4N3O2/c1-27-16-11-15-13(10-14(16)20)12-2-3-24-18(19(21,22)23)17(12)26(15)5-4-25-6-8-28-9-7-25/h2-3,10-11H,4-9H2,1H3
InChIKeyVRGSFWDAXYJKLE-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.69
Rot. Bonds4

About 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (PubChem CID 146372923) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
PubChem CID146372923
Molecular FormulaC19H19F4N3O2
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC Name4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESCOc1cc2c(cc1F)c1ccnc(C(F)(F)F)c1n2CCN1CCOCC1
InChIInChI=1S/C19H19F4N3O2/c1-27-16-11-15-13(10-14(16)20)12-2-3-24-18(19(21,22)23)17(12)26(15)5-4-25-6-8-28-9-7-25/h2-3,10-11H,4-9H2,1H3
InChIKeyVRGSFWDAXYJKLE-UHFFFAOYSA-N
XLogP3.69
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (CID 146372923) is 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is COc1cc2c(cc1F)c1ccnc(C(F)(F)F)c1n2CCN1CCOCC1.
What is the InChIKey of 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The InChIKey is VRGSFWDAXYJKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2/c1-27-16-11-15-13(10-14(16)20)12-2-3-24-18(19(21,22)23)17(12)26(15)5-4-25-6-8-28-9-7-25/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine has a molecular weight of 397.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is sourced from PubChem (CID 146372923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).