(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

C20H28N4O2 — CID 92751438

IUPAC(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C20H28N4O2/c1-22-18-14-15(19(25)21-9-13-23-10-4-5-11-23)7-8-16(18)24-12-3-2-6-17(24)20(22)26/h7-8,14,17H,2-6,9-13H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyDGRQQGHDMOKZSG-KRWDZBQOSA-N
MW356.47 g/mol
LogP1.85
Rot. Bonds4

About (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 92751438) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID92751438
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)NCCN3CCCC3)cc21
InChIInChI=1S/C20H28N4O2/c1-22-18-14-15(19(25)21-9-13-23-10-4-5-11-23)7-8-16(18)24-12-3-2-6-17(24)20(22)26/h7-8,14,17H,2-6,9-13H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyDGRQQGHDMOKZSG-KRWDZBQOSA-N
XLogP1.85
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide with MolForge

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Related Compounds

(6aS)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92751434
5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349976
(6aS)-5-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059908
N,N-dimethyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353565
(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726318
N-benzyl-5-ethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46344036
(6aR)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92751383
6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349932
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 53088479
2-[(6aS)-6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 95074726
N,N-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353552

Frequently Asked Questions

What is the IUPAC name of (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 92751438) is (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)NCCN3CCCC3)cc21.
What is the InChIKey of (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is DGRQQGHDMOKZSG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-18-14-15(19(25)21-9-13-23-10-4-5-11-23)7-8-16(18)24-12-3-2-6-17(24)20(22)26/h7-8,14,17H,2-6,9-13H2,1H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
(6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-5-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 92751438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).