2-(2,4-dimethoxyanilino)quinoline-4-carboxylate

C18H15N2O4- — CID 5070932

IUPAC2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
SMILESCOc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1
InChIInChI=1S/C18H16N2O4/c1-23-11-7-8-15(16(9-11)24-2)20-17-10-13(18(21)22)12-5-3-4-6-14(12)19-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDNMPGAIZNHLTTM-UHFFFAOYSA-M
MW323.33 g/mol
LogP2.36
Rot. Bonds5

About 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate

2-(2,4-dimethoxyanilino)quinoline-4-carboxylate (PubChem CID 5070932) has the molecular formula C18H15N2O4- and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
PubChem CID5070932
Molecular FormulaC18H15N2O4-
Molecular Weight323.33 g/mol
Exact Mass323.10
IUPAC Name2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
SMILESCOc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1
InChIInChI=1S/C18H16N2O4/c1-23-11-7-8-15(16(9-11)24-2)20-17-10-13(18(21)22)12-5-3-4-6-14(12)19-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyDNMPGAIZNHLTTM-UHFFFAOYSA-M
XLogP2.36
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
CID 15990816
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 122175007
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide
CID 70343441
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate?
The IUPAC name of 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate (CID 5070932) is 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate?
The canonical SMILES for 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate is COc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate?
The InChIKey is DNMPGAIZNHLTTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O4/c1-23-11-7-8-15(16(9-11)24-2)20-17-10-13(18(21)22)12-5-3-4-6-14(12)19-17/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate?
2-(2,4-dimethoxyanilino)quinoline-4-carboxylate has a molecular weight of 323.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)quinoline-4-carboxylate is sourced from PubChem (CID 5070932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).