2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C15H19NO2 — CID 116533753

IUPAC2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CCc2cc(C(=O)O)c(C3CC3)nc2C1C
InChIInChI=1S/C15H19NO2/c1-8-3-4-11-7-12(15(17)18)14(10-5-6-10)16-13(11)9(8)2/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyOAEABIIRKMUICC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.34
Rot. Bonds2

About 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 116533753) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID116533753
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC1CCc2cc(C(=O)O)c(C3CC3)nc2C1C
InChIInChI=1S/C15H19NO2/c1-8-3-4-11-7-12(15(17)18)14(10-5-6-10)16-13(11)9(8)2/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyOAEABIIRKMUICC-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 116533753) is 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC1CCc2cc(C(=O)O)c(C3CC3)nc2C1C.
What is the InChIKey of 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is OAEABIIRKMUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-8-3-4-11-7-12(15(17)18)14(10-5-6-10)16-13(11)9(8)2/h7-10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 116533753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).