4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid

C15H16N2O3 — CID 84641744

IUPAC4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(=O)Nc1cc(C(=O)O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C15H16N2O3/c1-8(2)10-4-5-12-11(6-10)13(16-9(3)18)7-14(17-12)15(19)20/h4-8H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyJEQJNLNDWAKPBQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.01
Rot. Bonds3

About 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid

4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid (PubChem CID 84641744) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
PubChem CID84641744
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid
SMILESCC(=O)Nc1cc(C(=O)O)nc2ccc(C(C)C)cc12
InChIInChI=1S/C15H16N2O3/c1-8(2)10-4-5-12-11(6-10)13(16-9(3)18)7-14(17-12)15(19)20/h4-8H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyJEQJNLNDWAKPBQ-UHFFFAOYSA-N
XLogP3.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid?
The IUPAC name of 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid (CID 84641744) is 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid?
The canonical SMILES for 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid is CC(=O)Nc1cc(C(=O)O)nc2ccc(C(C)C)cc12.
What is the InChIKey of 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid?
The InChIKey is JEQJNLNDWAKPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8(2)10-4-5-12-11(6-10)13(16-9(3)18)7-14(17-12)15(19)20/h4-8H,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid?
4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-6-propan-2-ylquinoline-2-carboxylic acid is sourced from PubChem (CID 84641744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).