(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

C19H23N3O4 — CID 110224229

IUPAC(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESC[C@]12C(=O)c3ccccc3NC(=O)C1[C@H]2C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H23N3O4/c1-19-14(17(24)20-6-7-22-8-10-26-11-9-22)15(19)18(25)21-13-5-3-2-4-12(13)16(19)23/h2-5,14-15H,6-11H2,1H3,(H,20,24)(H,21,25)/t14-,15?,19+/m0/s1
InChIKeyRFXFUTXPPIAIDT-CTHAPGQVSA-N
MW357.41 g/mol
LogP0.52
Rot. Bonds4

About (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (PubChem CID 110224229) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
PubChem CID110224229
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESC[C@]12C(=O)c3ccccc3NC(=O)C1[C@H]2C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H23N3O4/c1-19-14(17(24)20-6-7-22-8-10-26-11-9-22)15(19)18(25)21-13-5-3-2-4-12(13)16(19)23/h2-5,14-15H,6-11H2,1H3,(H,20,24)(H,21,25)/t14-,15?,19+/m0/s1
InChIKeyRFXFUTXPPIAIDT-CTHAPGQVSA-N
XLogP0.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S)-3-methyl-2,6-dioxo-N-(2-pyrrolidin-1-ylethyl)-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 92604187
(3R,4R)-N-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 110224265
(3R,4R)-3-methyl-2,6-dioxo-N-prop-2-enyl-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 110226275
(3R,4R,5R)-3-methyl-2,6-dioxo-N-prop-2-enyl-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 98078659
(3R,4R,5S)-3-methyl-2,6-dioxo-N-(thiophen-2-ylmethyl)-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 92604213
(3S,4R,5R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-3-methyl-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-2,6-dione
CID 98075505
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-quinoline-3-carboxamide
CID 146459694
N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667177
(3R,4R,5S)-N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
CID 92604207
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CID 108874898
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CID 4629546

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The IUPAC name of (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (CID 110224229) is (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.
What is the SMILES notation for (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The canonical SMILES for (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is C[C@]12C(=O)c3ccccc3NC(=O)C1[C@H]2C(=O)NCCN1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The InChIKey is RFXFUTXPPIAIDT-CTHAPGQVSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19-14(17(24)20-6-7-22-8-10-26-11-9-22)15(19)18(25)21-13-5-3-2-4-12(13)16(19)23/h2-5,14-15H,6-11H2,1H3,(H,20,24)(H,21,25)/t14-,15?,19+/m0/s1.
What are the key properties of (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
(3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-N-(2-morpholin-4-ylethyl)-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is sourced from PubChem (CID 110224229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).