(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C18H24N4O2 — CID 97079605

IUPAC(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCN4CCCC[C@@H]4C3)ccc2N1
InChIInChI=1S/C18H24N4O2/c23-17-7-4-13-11-14(5-6-16(13)20-17)19-18(24)22-10-9-21-8-2-1-3-15(21)12-22/h5-6,11,15H,1-4,7-10,12H2,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyARTZACFJRPZLLO-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds1

About (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 97079605) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID97079605
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C1CCc2cc(NC(=O)N3CCN4CCCC[C@@H]4C3)ccc2N1
InChIInChI=1S/C18H24N4O2/c23-17-7-4-13-11-14(5-6-16(13)20-17)19-18(24)22-10-9-21-8-2-1-3-15(21)12-22/h5-6,11,15H,1-4,7-10,12H2,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyARTZACFJRPZLLO-OAHLLOKOSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 97079605) is (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is O=C1CCc2cc(NC(=O)N3CCN4CCCC[C@@H]4C3)ccc2N1.
What is the InChIKey of (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ARTZACFJRPZLLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-7-4-13-11-14(5-6-16(13)20-17)19-18(24)22-10-9-21-8-2-1-3-15(21)12-22/h5-6,11,15H,1-4,7-10,12H2,(H,19,24)(H,20,23)/t15-/m1/s1.
What are the key properties of (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 97079605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).