5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid

C16H20N2O4 — CID 82212891

IUPAC5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
SMILESCC(C)OCCCn1cc(C(=O)O)c(=O)c2c(N)cccc21
InChIInChI=1S/C16H20N2O4/c1-10(2)22-8-4-7-18-9-11(16(20)21)15(19)14-12(17)5-3-6-13(14)18/h3,5-6,9-10H,4,7-8,17H2,1-2H3,(H,20,21)
InChIKeyRQURQBWAWCDTSV-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.10
Rot. Bonds6

About 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid

5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid (PubChem CID 82212891) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
PubChem CID82212891
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
SMILESCC(C)OCCCn1cc(C(=O)O)c(=O)c2c(N)cccc21
InChIInChI=1S/C16H20N2O4/c1-10(2)22-8-4-7-18-9-11(16(20)21)15(19)14-12(17)5-3-6-13(14)18/h3,5-6,9-10H,4,7-8,17H2,1-2H3,(H,20,21)
InChIKeyRQURQBWAWCDTSV-UHFFFAOYSA-N
XLogP2.10
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-4-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 82212882
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
CID 82212701
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid (CID 82212891) is 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid is CC(C)OCCCn1cc(C(=O)O)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid?
The InChIKey is RQURQBWAWCDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)22-8-4-7-18-9-11(16(20)21)15(19)14-12(17)5-3-6-13(14)18/h3,5-6,9-10H,4,7-8,17H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid?
5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 82212891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).