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

C20H23N3O3 — CID 92726318

IUPAC(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21
InChIInChI=1S/C20H23N3O3/c1-21(13-15-6-5-11-26-15)19(24)14-8-9-16-18(12-14)22(2)20(25)17-7-3-4-10-23(16)17/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3/t17-/m0/s1
InChIKeyKHKVWWBOKPXNCJ-KRWDZBQOSA-N
MW353.42 g/mol
LogP2.89
Rot. Bonds3

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

(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 92726318) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID92726318
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21
InChIInChI=1S/C20H23N3O3/c1-21(13-15-6-5-11-26-15)19(24)14-8-9-16-18(12-14)22(2)20(25)17-7-3-4-10-23(16)17/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3/t17-/m0/s1
InChIKeyKHKVWWBOKPXNCJ-KRWDZBQOSA-N
XLogP2.89
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
2-[3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 53088490
(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
N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 46353612
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 95074518
(2R)-N-(furan-2-ylmethyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27739678
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
2-[(6aR)-3-(diethylcarbamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetic acid
CID 92725458
N,N-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353535
(3S)-N-(furan-2-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8852042
(6aS)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752084

Frequently Asked Questions

What is the IUPAC name of (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of (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) is (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CN(Cc1ccco1)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21.
What is the InChIKey of (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is KHKVWWBOKPXNCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21(13-15-6-5-11-26-15)19(24)14-8-9-16-18(12-14)22(2)20(25)17-7-3-4-10-23(16)17/h5-6,8-9,11-12,17H,3-4,7,10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
(6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-N-(furan-2-ylmethyl)-N,5-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 92726318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).