2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate

C14H16ClNO2 — CID 166389622

IUPAC2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate
SMILESC=C(Cl)COC(=O)c1cc(C)nc2c1CCCC2
InChIInChI=1S/C14H16ClNO2/c1-9(15)8-18-14(17)12-7-10(2)16-13-6-4-3-5-11(12)13/h7H,1,3-6,8H2,2H3
InChIKeyLZIXITMVONBPBH-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.18
Rot. Bonds3

About 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate

2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate (PubChem CID 166389622) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate
PubChem CID166389622
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate
SMILESC=C(Cl)COC(=O)c1cc(C)nc2c1CCCC2
InChIInChI=1S/C14H16ClNO2/c1-9(15)8-18-14(17)12-7-10(2)16-13-6-4-3-5-11(12)13/h7H,1,3-6,8H2,2H3
InChIKeyLZIXITMVONBPBH-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The IUPAC name of 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate (CID 166389622) is 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate is C=C(Cl)COC(=O)c1cc(C)nc2c1CCCC2.
What is the InChIKey of 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate?
The InChIKey is LZIXITMVONBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(15)8-18-14(17)12-7-10(2)16-13-6-4-3-5-11(12)13/h7H,1,3-6,8H2,2H3.
What are the key properties of 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate?
2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate has a molecular weight of 265.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 166389622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).