4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid

C15H17N3O3 — CID 106916046

IUPAC4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H17N3O3/c1-16-14(19)7-8-18(2)13-9-12(15(20)21)17-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyFPGKHJXYMJNVKP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.51
Rot. Bonds5

About 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid

4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid (PubChem CID 106916046) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
PubChem CID106916046
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
SMILESCNC(=O)CCN(C)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C15H17N3O3/c1-16-14(19)7-8-18(2)13-9-12(15(20)21)17-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyFPGKHJXYMJNVKP-UHFFFAOYSA-N
XLogP1.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-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

4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
CID 63377647
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
CID 106918473
4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 21426366
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-3-(trifluoromethyl)benzoic acid
CID 106916147
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid (CID 106916046) is 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid is CNC(=O)CCN(C)c1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid?
The InChIKey is FPGKHJXYMJNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-14(19)7-8-18(2)13-9-12(15(20)21)17-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid?
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 106916046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).