ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate

C13H13ClN2O2 — CID 11780400

IUPACethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(Cl)c2c1N
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)10-7(2)16-9-6-4-5-8(14)11(9)12(10)15/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyIZRPILJOHNELFP-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.96
Rot. Bonds2

About ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate

ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate (PubChem CID 11780400) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
PubChem CID11780400
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Nameethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(Cl)c2c1N
InChIInChI=1S/C13H13ClN2O2/c1-3-18-13(17)10-7(2)16-9-6-4-5-8(14)11(9)12(10)15/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyIZRPILJOHNELFP-UHFFFAOYSA-N
XLogP2.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 66746516
ethyl 5-chloro-4-(3-ethoxy-3-oxopropyl)-2-methylquinoline-3-carboxylate
CID 167448688
ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
methyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 18326317
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197
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 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
ethyl 5-chloro-2-(2-oxopyrrolidin-1-yl)-4-phenylquinoline-3-carboxylate
CID 150683426
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
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-5-chloro-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate (CID 11780400) is ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(Cl)c2c1N.
What is the InChIKey of ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate?
The InChIKey is IZRPILJOHNELFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-18-13(17)10-7(2)16-9-6-4-5-8(14)11(9)12(10)15/h4-6H,3H2,1-2H3,(H2,15,16).
What are the key properties of ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate?
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate has a molecular weight of 264.71 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 11780400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).