6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid

C19H18N2O2 — CID 94962038

IUPAC6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(-c3ccccc3)c(C(=O)O)c(NC)c2c1
InChIInChI=1S/C19H18N2O2/c1-3-12-9-10-15-14(11-12)18(20-2)16(19(22)23)17(21-15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNJJGPPOTKAUASS-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.20
Rot. Bonds4

About 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid

6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid (PubChem CID 94962038) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
PubChem CID94962038
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(-c3ccccc3)c(C(=O)O)c(NC)c2c1
InChIInChI=1S/C19H18N2O2/c1-3-12-9-10-15-14(11-12)18(20-2)16(19(22)23)17(21-15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNJJGPPOTKAUASS-UHFFFAOYSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
CID 82220105
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
2-phenyl-3-(propylsulfonylamino)quinoline-4-carboxylic acid
CID 68702928
6-ethyl-2,4-diphenylquinoline
CID 132522547
2-(6-ethyl-2-phenylquinolin-3-yl)ethanol
CID 59780476
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
(6-ethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484419
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
2-(3-ethylphenyl)quinazoline-4-carboxylic acid
CID 159702981
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid?
The IUPAC name of 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid (CID 94962038) is 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid?
The canonical SMILES for 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid is CCc1ccc2nc(-c3ccccc3)c(C(=O)O)c(NC)c2c1.
What is the InChIKey of 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid?
The InChIKey is NJJGPPOTKAUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-12-9-10-15-14(11-12)18(20-2)16(19(22)23)17(21-15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid?
6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(methylamino)-2-phenylquinoline-3-carboxylic acid is sourced from PubChem (CID 94962038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).