1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate

C24H27N3O5 — CID 146341206

IUPAC1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(CC4CC4)nc3)cc2N(C(=O)OC2COC2)C[C@@H]1C
InChIInChI=1S/C24H27N3O5/c1-15-12-26(23(28)32-20-13-31-14-20)22-10-17(6-8-21(22)27(15)24(29)30-2)18-5-7-19(25-11-18)9-16-3-4-16/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3/t15-/m0/s1
InChIKeyWLHJQKPUAQPUEO-HNNXBMFYSA-N
MW437.50 g/mol
LogP4.02
Rot. Bonds4

About 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate

1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate (PubChem CID 146341206) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate
PubChem CID146341206
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(CC4CC4)nc3)cc2N(C(=O)OC2COC2)C[C@@H]1C
InChIInChI=1S/C24H27N3O5/c1-15-12-26(23(28)32-20-13-31-14-20)22-10-17(6-8-21(22)27(15)24(29)30-2)18-5-7-19(25-11-18)9-16-3-4-16/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3/t15-/m0/s1
InChIKeyWLHJQKPUAQPUEO-HNNXBMFYSA-N
XLogP4.02
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(4-Benzyl-2-ethyl-6-pyridin-3-yl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 145974979
ethyl 8-(4-fluorophenyl)-5,6-dihydro-1,7-naphthyridine-7(8H)-carboxylate
CID 57625459
1-[4-(Cyclopropanecarbonyl)-6-[6-(3-fluoropropyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123972447
propan-2-yl (3S)-4-acetyl-7-[1-(2-fluoroethyl)-5-methylpyrrol-3-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 146340911
tert-butyl (2S,5R)-4-(2,2-difluoro-1-quinoxalin-6-ylethyl)-2,5-dimethylpiperazine-1-carboxylate
CID 171480382
2-Methoxyethyl 4-[methyl-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 126472421
2-Methoxyethyl 4-[methyl-[(3-methyl-2-pyridinyl)-phenylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126472493
8-(4-t-Butyloxycarbonylpiperazin-1-yl)quinoline
CID 15540678
Tert-butyl 4-(5,6,7,8-tetrahydroquinolin-8-yl)piperazine-1-carboxylate
CID 18377340
tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate
CID 20825962
Propan-2-yl 4-[[5-[4-(methoxycarbonylamino)phenyl]pyrazin-2-yl]methyl-methylamino]piperidine-1-carboxylate
CID 44205898
Tert-butyl 4-(4-pyridin-4-ylphenyl)piperazine-1-carboxylate
CID 46180298

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The IUPAC name of 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate (CID 146341206) is 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate.
What is the SMILES notation for 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The canonical SMILES for 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate is COC(=O)N1c2ccc(-c3ccc(CC4CC4)nc3)cc2N(C(=O)OC2COC2)C[C@@H]1C.
What is the InChIKey of 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The InChIKey is WLHJQKPUAQPUEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-15-12-26(23(28)32-20-13-31-14-20)22-10-17(6-8-21(22)27(15)24(29)30-2)18-5-7-19(25-11-18)9-16-3-4-16/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate?
1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate has a molecular weight of 437.50 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-(oxetan-3-yl) (2S)-6-[6-(cyclopropylmethyl)-3-pyridinyl]-2-methyl-2,3-dihydroquinoxaline-1,4-dicarboxylate is sourced from PubChem (CID 146341206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).