1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid

C13H17NO2 — CID 60840296

IUPAC1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C13H17NO2/c1-9(2)14-8-4-6-10-11(13(15)16)5-3-7-12(10)14/h3,5,7,9H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyDAMDITZLXXHMDP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.55
Rot. Bonds2

About 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60840296) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60840296
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C13H17NO2/c1-9(2)14-8-4-6-10-11(13(15)16)5-3-7-12(10)14/h3,5,7,9H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyDAMDITZLXXHMDP-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60840296) is 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid is CC(C)N1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is DAMDITZLXXHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)14-8-4-6-10-11(13(15)16)5-3-7-12(10)14/h3,5,7,9H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60840296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).