(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate

C15H13ClN2O3 — CID 71923208

IUPAC(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O3/c16-9-3-4-12-10(5-9)11(15(20)21-7-14(17)19)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,19)
InChIKeyADFRIWJRQNDRDU-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.41
Rot. Bonds4

About (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate

(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate (PubChem CID 71923208) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
PubChem CID71923208
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O3/c16-9-3-4-12-10(5-9)11(15(20)21-7-14(17)19)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,19)
InChIKeyADFRIWJRQNDRDU-UHFFFAOYSA-N
XLogP2.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate (CID 71923208) is (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate is NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate?
The InChIKey is ADFRIWJRQNDRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-9-3-4-12-10(5-9)11(15(20)21-7-14(17)19)6-13(18-12)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,19).
What are the key properties of (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate?
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate has a molecular weight of 304.73 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 71923208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).