methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate

C25H20N2O4 — CID 46538622

IUPACmethyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccc(C)nc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H20N2O4/c1-16-12-13-18(14-26-16)24(28)31-15-21-23(25(29)30-2)22(17-8-4-3-5-9-17)19-10-6-7-11-20(19)27-21/h3-14H,15H2,1-2H3
InChIKeyAYGPPAPVKVPKAD-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.75
Rot. Bonds5

About methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate

methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate (PubChem CID 46538622) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
PubChem CID46538622
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Namemethyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccc(C)nc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H20N2O4/c1-16-12-13-18(14-26-16)24(28)31-15-21-23(25(29)30-2)22(17-8-4-3-5-9-17)19-10-6-7-11-20(19)27-21/h3-14H,15H2,1-2H3
InChIKeyAYGPPAPVKVPKAD-UHFFFAOYSA-N
XLogP4.75
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-cyanobenzoyl)oxymethyl]-4-phenylquinoline-3-carboxylate
CID 18293252
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
methyl 2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-phenylquinoline-3-carboxylate
CID 112799764
methyl 4-methyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 8925535
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 24604370
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]-4-phenylquinoline-3-carboxylate
CID 8910715
ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 55994724
methyl 4-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate
CID 27714338
3-[(3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610996
methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 26623752
methyl 2-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18279349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate (CID 46538622) is methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(COC(=O)c2ccc(C)nc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is AYGPPAPVKVPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-16-12-13-18(14-26-16)24(28)31-15-21-23(25(29)30-2)22(17-8-4-3-5-9-17)19-10-6-7-11-20(19)27-21/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methylpyridine-3-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 46538622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).