2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid

C13H16N2O4 — CID 145209114

IUPAC2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid
SMILESCC1(C)Cc2nc(C(N)=O)cc(C(=O)O)c2C(O)C1
InChIInChI=1S/C13H16N2O4/c1-13(2)4-8-10(9(16)5-13)6(12(18)19)3-7(15-8)11(14)17/h3,9,16H,4-5H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyARZIOGQFPSGZTP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.88
Rot. Bonds2

About 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid

2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid (PubChem CID 145209114) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid
PubChem CID145209114
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid
SMILESCC1(C)Cc2nc(C(N)=O)cc(C(=O)O)c2C(O)C1
InChIInChI=1S/C13H16N2O4/c1-13(2)4-8-10(9(16)5-13)6(12(18)19)3-7(15-8)11(14)17/h3,9,16H,4-5H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyARZIOGQFPSGZTP-UHFFFAOYSA-N
XLogP0.88
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid?
The IUPAC name of 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid (CID 145209114) is 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid is CC1(C)Cc2nc(C(N)=O)cc(C(=O)O)c2C(O)C1.
What is the InChIKey of 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid?
The InChIKey is ARZIOGQFPSGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(2)4-8-10(9(16)5-13)6(12(18)19)3-7(15-8)11(14)17/h3,9,16H,4-5H2,1-2H3,(H2,14,17)(H,18,19).
What are the key properties of 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid?
2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinoline-4-carboxylic acid is sourced from PubChem (CID 145209114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).