(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

C24H27ClN4O3 — CID 95074749

IUPAC(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN21
InChIInChI=1S/C24H27ClN4O3/c1-27(2)23(31)17-8-11-19-21(13-17)29(24(32)20-5-3-4-12-28(19)20)15-22(30)26-14-16-6-9-18(25)10-7-16/h6-11,13,20H,3-5,12,14-15H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyIUFLMPZWOCYGMM-HXUWFJFHSA-N
MW454.96 g/mol
LogP3.06
Rot. Bonds5

About (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 95074749) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID95074749
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN21
InChIInChI=1S/C24H27ClN4O3/c1-27(2)23(31)17-8-11-19-21(13-17)29(24(32)20-5-3-4-12-28(19)20)15-22(30)26-14-16-6-9-18(25)10-7-16/h6-11,13,20H,3-5,12,14-15H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyIUFLMPZWOCYGMM-HXUWFJFHSA-N
XLogP3.06
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-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-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 53029957
(6aR)-5-[2-(benzylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752054
(6aS)-5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074754
(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
N,N-dimethyl-5-[2-(3-methylbutylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353554
(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
2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-ethylphenyl)methyl]acetamide
CID 138857916
5-[2-(butan-2-ylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353542
5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353561
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
(6aR)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(pyridin-2-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074739
(6aS)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074756

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 95074749) is (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN21.
What is the InChIKey of (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is IUFLMPZWOCYGMM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-27(2)23(31)17-8-11-19-21(13-17)29(24(32)20-5-3-4-12-28(19)20)15-22(30)26-14-16-6-9-18(25)10-7-16/h6-11,13,20H,3-5,12,14-15H2,1-2H3,(H,26,30)/t20-/m1/s1.
What are the key properties of (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 95074749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).