ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate

C14H16N2O2 — CID 66746516

IUPACethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(C)c2c1N
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-9(3)16-10-7-5-6-8(2)11(10)13(12)15/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyZOLCQDQCXJVPPL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.61
Rot. Bonds2

About ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate

ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate (PubChem CID 66746516) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
PubChem CID66746516
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(C)c2c1N
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)12-9(3)16-10-7-5-6-8(2)11(10)13(12)15/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyZOLCQDQCXJVPPL-UHFFFAOYSA-N
XLogP2.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 18326317
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
ethyl 2,6-dimethylbenzoate
CID 520807
3-(4-amino-3-ethoxycarbonyl-2-methylquinolin-5-yl)oxy-2,2-dimethylpropanoic acid;ethyl 4-amino-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylate
CID 159969175
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
ethyl 5-chloro-4-(3-ethoxy-3-oxopropyl)-2-methylquinoline-3-carboxylate
CID 167448688
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
CID 175053743
ethyl 4-(3-ethoxy-3-oxopropyl)-2-methyl-5-nitroquinoline-3-carboxylate
CID 167448645
ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
ethyl 4-amino-1-benzyl-2,3,6-trimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012187

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate (CID 66746516) is ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(C)c2c1N.
What is the InChIKey of ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The InChIKey is ZOLCQDQCXJVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)12-9(3)16-10-7-5-6-8(2)11(10)13(12)15/h5-7H,4H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 66746516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).