2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

C23H21F3N4O5 — CID 118511982

IUPAC2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(C(=O)N5CCOCC5)nc34)cc21
InChIInChI=1S/C21H20N4O3.C2HF3O2/c26-20-15-12-18(23-16(15)6-7-22-20)14-3-1-2-13-4-5-17(24-19(13)14)21(27)25-8-10-28-11-9-25;3-2(4,5)1(6)7/h1-5,12,23H,6-11H2,(H,22,26);(H,6,7)
InChIKeyYNMVGLDGRVPZAI-UHFFFAOYSA-N
MW490.44 g/mol
LogP2.62
Rot. Bonds2

About 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 118511982) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
PubChem CID118511982
Molecular FormulaC23H21F3N4O5
Molecular Weight490.44 g/mol
Exact Mass490.15
IUPAC Name2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(C(=O)N5CCOCC5)nc34)cc21
InChIInChI=1S/C21H20N4O3.C2HF3O2/c26-20-15-12-18(23-16(15)6-7-22-20)14-3-1-2-13-4-5-17(24-19(13)14)21(27)25-8-10-28-11-9-25;3-2(4,5)1(6)7/h1-5,12,23H,6-11H2,(H,22,26);(H,6,7)
InChIKeyYNMVGLDGRVPZAI-UHFFFAOYSA-N
XLogP2.62
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[2-[(E)-2-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 87958665
2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159360603
2-[2-[3-(2-aminoacetyl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 87959696
2-[2-[(E)-2-[3-(2-morpholin-4-ylethyl)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;3,3,3-trifluoroprop-1-en-2-ol
CID 162107672
2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 10072145
2-[2-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 161492989
3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 56700944
2-[2-[(E)-2-(3-fluoro-4-morpholin-4-ylphenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 158036194
2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine
CID 160807681
[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 70739483
(6-hydroxyquinolin-2-yl)-morpholin-4-ylmethanone
CID 146493098
1'-(6-aminopyridine-2-carbonyl)spiro[2,9-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-4,4'-piperidine]-13-one
CID 110067833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (CID 118511982) is 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(C(=O)N5CCOCC5)nc34)cc21.
What is the InChIKey of 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is YNMVGLDGRVPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3.C2HF3O2/c26-20-15-12-18(23-16(15)6-7-22-20)14-3-1-2-13-4-5-17(24-19(13)14)21(27)25-8-10-28-11-9-25;3-2(4,5)1(6)7/h1-5,12,23H,6-11H2,(H,22,26);(H,6,7).
What are the key properties of 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 490.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholine-4-carbonyl)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118511982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).