4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

C19H19F4N3O2 — CID 146373073

IUPAC4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESCOc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCOCC3)c2c1F
InChIInChI=1S/C19H19F4N3O2/c1-27-14-3-2-12-13-4-5-24-18(19(21,22)23)17(13)26(16(12)15(14)20)7-6-25-8-10-28-11-9-25/h2-5H,6-11H2,1H3
InChIKeyJPABYCDXNZYMPQ-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.69
Rot. Bonds4

About 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine

4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (PubChem CID 146373073) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
PubChem CID146373073
Molecular FormulaC19H19F4N3O2
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC Name4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
SMILESCOc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCOCC3)c2c1F
InChIInChI=1S/C19H19F4N3O2/c1-27-14-3-2-12-13-4-5-24-18(19(21,22)23)17(13)26(16(12)15(14)20)7-6-25-8-10-28-11-9-25/h2-5H,6-11H2,1H3
InChIKeyJPABYCDXNZYMPQ-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-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine (CID 146373073) is 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is COc1ccc2c3ccnc(C(F)(F)F)c3n(CCN3CCOCC3)c2c1F.
What is the InChIKey of 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
The InChIKey is JPABYCDXNZYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2/c1-27-14-3-2-12-13-4-5-24-18(19(21,22)23)17(13)26(16(12)15(14)20)7-6-25-8-10-28-11-9-25/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine?
4-[2-[8-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-[8-fluoro-7-methoxy-1-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine is sourced from PubChem (CID 146373073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).