3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid

C17H20N2O4 — CID 120516810

IUPAC3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H20N2O4/c1-4-19(8-7-16(20)21)17(22)14-9-12-5-6-13(23-3)10-15(12)18-11(14)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)
InChIKeyXRNYRLYMNMUKTE-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.49
Rot. Bonds6

About 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid

3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid (PubChem CID 120516810) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
PubChem CID120516810
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H20N2O4/c1-4-19(8-7-16(20)21)17(22)14-9-12-5-6-13(23-3)10-15(12)18-11(14)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)
InChIKeyXRNYRLYMNMUKTE-UHFFFAOYSA-N
XLogP2.49
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
N-ethyl-7-methoxy-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-3-carboxamide
CID 94799893
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate
CID 55473337
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid (CID 120516810) is 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is XRNYRLYMNMUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-19(8-7-16(20)21)17(22)14-9-12-5-6-13(23-3)10-15(12)18-11(14)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21).
What are the key properties of 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid?
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120516810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).