methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate

C24H24N2O5 — CID 68858445

IUPACmethyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
SMILESCOC(=O)C1COCC1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)12-31-18-9-7-16(8-10-18)23(27)26-22-14-30-13-20(22)24(28)29-2/h3-11,20,22H,12-14H2,1-2H3,(H,26,27)
InChIKeyHGINDUGQSVTAKI-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.04
Rot. Bonds6

About methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate

methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate (PubChem CID 68858445) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
PubChem CID68858445
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namemethyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
SMILESCOC(=O)C1COCC1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)12-31-18-9-7-16(8-10-18)23(27)26-22-14-30-13-20(22)24(28)29-2/h3-11,20,22H,12-14H2,1-2H3,(H,26,27)
InChIKeyHGINDUGQSVTAKI-UHFFFAOYSA-N
XLogP3.04
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate with MolForge

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Related Compounds

N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 58582396
(5S,7S,8R)-N-hydroxy-8-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide
CID 10140363
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
N-[(1R,2R)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 87907404
4-[(2-methylquinolin-4-yl)methoxy]-N-[(3R,4R)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)oxan-4-yl]benzamide
CID 87903103
methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
CID 66912603
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate?
The IUPAC name of methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate (CID 68858445) is methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate?
The canonical SMILES for methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate is COC(=O)C1COCC1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate?
The InChIKey is HGINDUGQSVTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)12-31-18-9-7-16(8-10-18)23(27)26-22-14-30-13-20(22)24(28)29-2/h3-11,20,22H,12-14H2,1-2H3,(H,26,27).
What are the key properties of methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate?
methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate is sourced from PubChem (CID 68858445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).