3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate

C18H11NO5-2 — CID 5216026

IUPAC3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
SMILESCOc1ccc(-c2c(C(=O)[O-])nc3ccccc3c2C(=O)[O-])cc1
InChIInChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/p-2
InChIKeyCDWWIWDVXOQSLL-UHFFFAOYSA-L
MW321.29 g/mol
LogP0.64
Rot. Bonds4

About 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate

3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate (PubChem CID 5216026) has the molecular formula C18H11NO5-2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate.

Molecular Properties

Compound Name3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
PubChem CID5216026
Molecular FormulaC18H11NO5-2
Molecular Weight321.29 g/mol
Exact Mass321.06
IUPAC Name3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
SMILESCOc1ccc(-c2c(C(=O)[O-])nc3ccccc3c2C(=O)[O-])cc1
InChIInChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/p-2
InChIKeyCDWWIWDVXOQSLL-UHFFFAOYSA-L
XLogP0.64
TPSA102.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860
methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate
CID 102226718
3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 4134698
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
methyl acridine-9-carboxylate
CID 21211
methyl 2-[2-(4-methoxyphenyl)-4-phenylquinolin-3-yl]sulfanylacetate
CID 73347743

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate?
The IUPAC name of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate (CID 5216026) is 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate.
What is the SMILES notation for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate?
The canonical SMILES for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate is COc1ccc(-c2c(C(=O)[O-])nc3ccccc3c2C(=O)[O-])cc1.
What is the InChIKey of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate?
The InChIKey is CDWWIWDVXOQSLL-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13NO5/c1-24-11-8-6-10(7-9-11)14-15(17(20)21)12-4-2-3-5-13(12)19-16(14)18(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/p-2.
What are the key properties of 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate?
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate has a molecular weight of 321.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate is sourced from PubChem (CID 5216026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).