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

C17H13N2O2- — CID 19759621

IUPAC4-(2-methylanilino)quinoline-3-carboxylate
SMILESCc1ccccc1Nc1c(C(=O)[O-])cnc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeySHNZEHDBIHNAGZ-UHFFFAOYSA-M
MW277.30 g/mol
LogP2.65
Rot. Bonds3

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

4-(2-methylanilino)quinoline-3-carboxylate (PubChem CID 19759621) has the molecular formula C17H13N2O2- and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Name4-(2-methylanilino)quinoline-3-carboxylate
PubChem CID19759621
Molecular FormulaC17H13N2O2-
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name4-(2-methylanilino)quinoline-3-carboxylate
SMILESCc1ccccc1Nc1c(C(=O)[O-])cnc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeySHNZEHDBIHNAGZ-UHFFFAOYSA-M
XLogP2.65
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10336037
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166
[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
CID 2241646
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006
4-(2-fluoroanilino)quinoline-3-carbothioamide
CID 43669596
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
ethyl 8-[hydroxy-(4-hydroxyphenyl)methyl]-4-(2-methylanilino)quinoline-3-carboxylate
CID 139661322

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)quinoline-3-carboxylate?
The IUPAC name of 4-(2-methylanilino)quinoline-3-carboxylate (CID 19759621) is 4-(2-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for 4-(2-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for 4-(2-methylanilino)quinoline-3-carboxylate is Cc1ccccc1Nc1c(C(=O)[O-])cnc2ccccc12.
What is the InChIKey of 4-(2-methylanilino)quinoline-3-carboxylate?
The InChIKey is SHNZEHDBIHNAGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 4-(2-methylanilino)quinoline-3-carboxylate?
4-(2-methylanilino)quinoline-3-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 19759621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).