ethyl 2-amino-4-chloroquinoline-3-carboxylate

C12H11ClN2O2 — CID 141107450

IUPACethyl 2-amino-4-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyVSGVLXISRQKRPJ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.65
Rot. Bonds2

About ethyl 2-amino-4-chloroquinoline-3-carboxylate

ethyl 2-amino-4-chloroquinoline-3-carboxylate (PubChem CID 141107450) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is ethyl 2-amino-4-chloroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-chloroquinoline-3-carboxylate
PubChem CID141107450
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Nameethyl 2-amino-4-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyVSGVLXISRQKRPJ-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-chloroquinoline-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-chloroquinoline-3-carboxylate (CID 141107450) is ethyl 2-amino-4-chloroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-chloroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-chloroquinoline-3-carboxylate is CCOC(=O)c1c(N)nc2ccccc2c1Cl.
What is the InChIKey of ethyl 2-amino-4-chloroquinoline-3-carboxylate?
The InChIKey is VSGVLXISRQKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-amino-4-chloroquinoline-3-carboxylate?
ethyl 2-amino-4-chloroquinoline-3-carboxylate has a molecular weight of 250.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-chloroquinoline-3-carboxylate is sourced from PubChem (CID 141107450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).