3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one

C19H21N3O3 — CID 137338971

IUPAC3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one
SMILESCc1cccc2c(=O)c(C(=O)N3C[C@H]4CCCN4C(=O)[C@H]3C)c[nH]c12
InChIInChI=1S/C19H21N3O3/c1-11-5-3-7-14-16(11)20-9-15(17(14)23)19(25)22-10-13-6-4-8-21(13)18(24)12(22)2/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
InChIKeyQZBNEOXYUOUAHN-CHWSQXEVSA-N
MW339.40 g/mol
LogP1.67
Rot. Bonds1

About 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one

3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one (PubChem CID 137338971) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one
PubChem CID137338971
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one
SMILESCc1cccc2c(=O)c(C(=O)N3C[C@H]4CCCN4C(=O)[C@H]3C)c[nH]c12
InChIInChI=1S/C19H21N3O3/c1-11-5-3-7-14-16(11)20-9-15(17(14)23)19(25)22-10-13-6-4-8-21(13)18(24)12(22)2/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1
InChIKeyQZBNEOXYUOUAHN-CHWSQXEVSA-N
XLogP1.67
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one (CID 137338971) is 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one is Cc1cccc2c(=O)c(C(=O)N3C[C@H]4CCCN4C(=O)[C@H]3C)c[nH]c12.
What is the InChIKey of 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one?
The InChIKey is QZBNEOXYUOUAHN-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-5-3-7-14-16(11)20-9-15(17(14)23)19(25)22-10-13-6-4-8-21(13)18(24)12(22)2/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1.
What are the key properties of 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one?
3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 137338971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).