(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one

C21H24N4O2 — CID 138711214

IUPAC(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one
SMILESC=C/C=C1/OCC(=O)N/C1=C/CNc1ccc2c3c(n(C)c2n1)CCCC3
InChIInChI=1S/C21H24N4O2/c1-3-6-18-16(23-20(26)13-27-18)11-12-22-19-10-9-15-14-7-4-5-8-17(14)25(2)21(15)24-19/h3,6,9-11H,1,4-5,7-8,12-13H2,2H3,(H,22,24)(H,23,26)/b16-11+,18-6+
InChIKeyUQZYHHMJLKJAFF-WNLBLWOUSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds4

About (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one

(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one (PubChem CID 138711214) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one.

Molecular Properties

Compound Name(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one
PubChem CID138711214
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one
SMILESC=C/C=C1/OCC(=O)N/C1=C/CNc1ccc2c3c(n(C)c2n1)CCCC3
InChIInChI=1S/C21H24N4O2/c1-3-6-18-16(23-20(26)13-27-18)11-12-22-19-10-9-15-14-7-4-5-8-17(14)25(2)21(15)24-19/h3,6,9-11H,1,4-5,7-8,12-13H2,2H3,(H,22,24)(H,23,26)/b16-11+,18-6+
InChIKeyUQZYHHMJLKJAFF-WNLBLWOUSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one?
The IUPAC name of (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one (CID 138711214) is (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one.
What is the SMILES notation for (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one?
The canonical SMILES for (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one is C=C/C=C1/OCC(=O)N/C1=C/CNc1ccc2c3c(n(C)c2n1)CCCC3.
What is the InChIKey of (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one?
The InChIKey is UQZYHHMJLKJAFF-WNLBLWOUSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-6-18-16(23-20(26)13-27-18)11-12-22-19-10-9-15-14-7-4-5-8-17(14)25(2)21(15)24-19/h3,6,9-11H,1,4-5,7-8,12-13H2,2H3,(H,22,24)(H,23,26)/b16-11+,18-6+.
What are the key properties of (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one?
(5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[2-[(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-yl)amino]ethylidene]-6-prop-2-enylidenemorpholin-3-one is sourced from PubChem (CID 138711214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).