ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate

C19H21NO4 — CID 8020793

IUPACethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)[C@H]2C[C@H]2C)nc2ccccc2c1C
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)17-12(3)13-7-5-6-8-15(13)20-16(17)10-24-18(21)14-9-11(14)2/h5-8,11,14H,4,9-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyHQWWSQRCHHCRHQ-RISCZKNCSA-N
MW327.38 g/mol
LogP3.42
Rot. Bonds5

About ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate

ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate (PubChem CID 8020793) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
PubChem CID8020793
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)[C@H]2C[C@H]2C)nc2ccccc2c1C
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)17-12(3)13-7-5-6-8-15(13)20-16(17)10-24-18(21)14-9-11(14)2/h5-8,11,14H,4,9-10H2,1-3H3/t11-,14+/m1/s1
InChIKeyHQWWSQRCHHCRHQ-RISCZKNCSA-N
XLogP3.42
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate with MolForge

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Related Compounds

1-O-tert-butyl 4-O-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl] piperidine-1,4-dicarboxylate
CID 55392787
ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 55309589
ethyl 2-[[2-(2-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8661348
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
ethyl 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8899381
ethyl 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8736514
ethyl 4-methyl-2-[[(Z)-(2-methylphenyl)methylideneamino]oxymethyl]quinoline-3-carboxylate
CID 7670532
ethyl 4-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]quinoline-3-carboxylate
CID 9364415
ethyl 4-methyl-2-[(4-methylsulfonylphenoxy)methyl]quinoline-3-carboxylate
CID 55590399
ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 55994724
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate (CID 8020793) is ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate is CCOC(=O)c1c(COC(=O)[C@H]2C[C@H]2C)nc2ccccc2c1C.
What is the InChIKey of ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate?
The InChIKey is HQWWSQRCHHCRHQ-RISCZKNCSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-19(22)17-12(3)13-7-5-6-8-15(13)20-16(17)10-24-18(21)14-9-11(14)2/h5-8,11,14H,4,9-10H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate?
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate is sourced from PubChem (CID 8020793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).