6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid

C18H16N2O2 — CID 3998411

IUPAC6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H16N2O2/c1-11(2)12-6-7-15-13(9-12)14(18(21)22)10-17(20-15)16-5-3-4-8-19-16/h3-11H,1-2H3,(H,21,22)
InChIKeyPRUCDCVAOWLHDX-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.12
Rot. Bonds3

About 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid

6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 3998411) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID3998411
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H16N2O2/c1-11(2)12-6-7-15-13(9-12)14(18(21)22)10-17(20-15)16-5-3-4-8-19-16/h3-11H,1-2H3,(H,21,22)
InChIKeyPRUCDCVAOWLHDX-UHFFFAOYSA-N
XLogP4.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 3998411) is 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid is CC(C)c1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is PRUCDCVAOWLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11(2)12-6-7-15-13(9-12)14(18(21)22)10-17(20-15)16-5-3-4-8-19-16/h3-11H,1-2H3,(H,21,22).
What are the key properties of 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid?
6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3998411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).