6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate

C18H15N2O3- — CID 4053129

IUPAC6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-17-13-9-12(23-2)7-8-16(13)19-10-14(17)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyIQOFHRBOGRHPEM-UHFFFAOYSA-M
MW307.33 g/mol
LogP2.66
Rot. Bonds4

About 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate

6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate (PubChem CID 4053129) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Name6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
PubChem CID4053129
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCOc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-17-13-9-12(23-2)7-8-16(13)19-10-14(17)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyIQOFHRBOGRHPEM-UHFFFAOYSA-M
XLogP2.66
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylanilino)quinoline-3-carboxylate
CID 19759621
4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
CID 7137761
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
1-[4-(4-methoxy-2-methylanilino)-6-methylquinolin-3-yl]butan-1-one
CID 57023800
4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 159082888
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The IUPAC name of 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate (CID 4053129) is 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate is COc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1.
What is the InChIKey of 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The InChIKey is IQOFHRBOGRHPEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-17-13-9-12(23-2)7-8-16(13)19-10-14(17)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 4053129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).