ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate

C20H20N2O2 — CID 715750

IUPACethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-4-24-20(23)15-8-10-16(11-9-15)22-18-12-14(3)21-19-13(2)6-5-7-17(18)19/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyPCCKGCCCQKCCFW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.77
Rot. Bonds4

About ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate

ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate (PubChem CID 715750) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
PubChem CID715750
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Nameethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-4-24-20(23)15-8-10-16(11-9-15)22-18-12-14(3)21-19-13(2)6-5-7-17(18)19/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyPCCKGCCCQKCCFW-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
CID 2790115
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
ethyl 4-[(4-amino-6-methylpyrimidin-2-yl)amino]benzoate;hydrochloride
CID 71786088
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate (CID 715750) is ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C)nc3c(C)cccc23)cc1.
What is the InChIKey of ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate?
The InChIKey is PCCKGCCCQKCCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-24-20(23)15-8-10-16(11-9-15)22-18-12-14(3)21-19-13(2)6-5-7-17(18)19/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate?
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate has a molecular weight of 320.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 715750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).