3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid

C17H21NO2 — CID 60985585

IUPAC3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid
SMILESCCCc1nc2c(C)ccc(C)c2c(C(=O)O)c1CC
InChIInChI=1S/C17H21NO2/c1-5-7-13-12(6-2)15(17(19)20)14-10(3)8-9-11(4)16(14)18-13/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyFMXSKIFBCDOHAS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.06
Rot. Bonds4

About 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid

3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid (PubChem CID 60985585) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid
PubChem CID60985585
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid
SMILESCCCc1nc2c(C)ccc(C)c2c(C(=O)O)c1CC
InChIInChI=1S/C17H21NO2/c1-5-7-13-12(6-2)15(17(19)20)14-10(3)8-9-11(4)16(14)18-13/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyFMXSKIFBCDOHAS-UHFFFAOYSA-N
XLogP4.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid?
The IUPAC name of 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid (CID 60985585) is 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid?
The canonical SMILES for 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid is CCCc1nc2c(C)ccc(C)c2c(C(=O)O)c1CC.
What is the InChIKey of 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid?
The InChIKey is FMXSKIFBCDOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-7-13-12(6-2)15(17(19)20)14-10(3)8-9-11(4)16(14)18-13/h8-9H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid?
3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,8-dimethyl-2-propylquinoline-4-carboxylic acid is sourced from PubChem (CID 60985585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).