7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate

C19H16ClN2O2- — CID 2241646

IUPAC7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
SMILESCCc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-18-13-8-9-15(20)11(2)17(13)21-10-14(18)19(23)24/h4-10H,3H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyPYVWMESSDOGGCU-UHFFFAOYSA-M
MW339.80 g/mol
LogP3.87
Rot. Bonds4

About 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate

7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate (PubChem CID 2241646) has the molecular formula C19H16ClN2O2- and a molecular weight of 339.80 g/mol. Its IUPAC name is 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
PubChem CID2241646
Molecular FormulaC19H16ClN2O2-
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
SMILESCCc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12
InChIInChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-18-13-8-9-15(20)11(2)17(13)21-10-14(18)19(23)24/h4-10H,3H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyPYVWMESSDOGGCU-UHFFFAOYSA-M
XLogP3.87
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
CID 7137814
7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
CID 2241668
4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
8-chloro-4-(2-ethylanilino)-N-prop-2-enylquinoline-3-carboxamide
CID 10021773
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54678751
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
CID 23993661
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045
4-(2-methylanilino)quinoline-3-carboxylate
CID 19759621
7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 2241674
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate?
The IUPAC name of 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate (CID 2241646) is 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate?
The canonical SMILES for 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate is CCc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate?
The InChIKey is PYVWMESSDOGGCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-18-13-8-9-15(20)11(2)17(13)21-10-14(18)19(23)24/h4-10H,3H2,1-2H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate?
7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate has a molecular weight of 339.80 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 2241646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).