1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

C24H35N5O3 — CID 146226501

IUPAC1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3CCC4NCN(C)C4N3C)cc2N(C(=O)C2CCCO2)C[C@@H]1C
InChIInChI=1S/C24H35N5O3/c1-15-13-28(24(31)22-6-5-11-32-22)21-12-17(7-9-20(21)29(15)16(2)30)19-10-8-18-23(27(19)4)26(3)14-25-18/h7,9,12,15,18-19,22-23,25H,5-6,8,10-11,13-14H2,1-4H3/t15-,18?,19?,22?,23?/m0/s1
InChIKeyUHPDBOJRUGWVOM-BTEDFZBLSA-N
MW441.58 g/mol
LogP1.91
Rot. Bonds2

About 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146226501) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID146226501
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3CCC4NCN(C)C4N3C)cc2N(C(=O)C2CCCO2)C[C@@H]1C
InChIInChI=1S/C24H35N5O3/c1-15-13-28(24(31)22-6-5-11-32-22)21-12-17(7-9-20(21)29(15)16(2)30)19-10-8-18-23(27(19)4)26(3)14-25-18/h7,9,12,15,18-19,22-23,25H,5-6,8,10-11,13-14H2,1-4H3/t15-,18?,19?,22?,23?/m0/s1
InChIKeyUHPDBOJRUGWVOM-BTEDFZBLSA-N
XLogP1.91
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146226497
1-[(2S)-6-(1-but-3-enyl-6-methylidenediazinan-3-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 144846764
1-[(2S)-2-methyl-4-(oxolane-2-carbonyl)-6-(3-pyrazolidin-1-ylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340763
N-[4-[(2S)-1-acetyl-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide
CID 144846715
1-[(2S)-2-methyl-6-[4-methyl-3-(3-methylbut-3-enyl)phenyl]-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340982
4-[(2S)-1-acetyl-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-6-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 146340607
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 107388687
5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1-methylpiperidin-2-one
CID 146340822
[(3S)-3-methyl-7-(4-methylsulfonylphenyl)-4-(2-propyl-1,2-oxazolidine-5-carbonyl)-2,3-dihydroquinoxalin-1-yl]-(oxolan-2-yl)methanone
CID 146340792
1-[(2S)-2-methyl-6-(1-methyl-2,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-4-(oxolane-2-carbonyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140684692
1-[(2S)-4-(cyclobutanecarbonyl)-2-methyl-6-(4-propan-2-ylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080315
1-[(2S)-4-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 139393774

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146226501) is 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(C3CCC4NCN(C)C4N3C)cc2N(C(=O)C2CCCO2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is UHPDBOJRUGWVOM-BTEDFZBLSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-15-13-28(24(31)22-6-5-11-32-22)21-12-17(7-9-20(21)29(15)16(2)30)19-10-8-18-23(27(19)4)26(3)14-25-18/h7,9,12,15,18-19,22-23,25H,5-6,8,10-11,13-14H2,1-4H3/t15-,18?,19?,22?,23?/m0/s1.
What are the key properties of 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 441.58 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-(3,4-dimethyl-2,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridin-5-yl)-2-methyl-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).