2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid

C15H18N2O3 — CID 122048748

IUPAC2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid
SMILESCOc1cccc2c(N(C)C(C)C(=O)O)cc(C)nc12
InChIInChI=1S/C15H18N2O3/c1-9-8-12(17(3)10(2)15(18)19)11-6-5-7-13(20-4)14(11)16-9/h5-8,10H,1-4H3,(H,18,19)
InChIKeyBGNIBKXPGCTTHV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.46
Rot. Bonds4

About 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid

2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid (PubChem CID 122048748) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid
PubChem CID122048748
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid
SMILESCOc1cccc2c(N(C)C(C)C(=O)O)cc(C)nc12
InChIInChI=1S/C15H18N2O3/c1-9-8-12(17(3)10(2)15(18)19)11-6-5-7-13(20-4)14(11)16-9/h5-8,10H,1-4H3,(H,18,19)
InChIKeyBGNIBKXPGCTTHV-UHFFFAOYSA-N
XLogP2.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methoxy-2-Methylquinoline
CID 316986
8-Acetoxyquinoline
CID 75777
8-Methoxyquinoline
CID 70310
SK&F 96079
CID 196776
2-[(E)-2-(3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5731702
8-Methoxyquinolin-4-amine
CID 16767485
8-Quinolinol, 2-methoxy-
CID 762719
methyl 4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl ether
CID 3307854
2-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3758900
1-(4-Methoxy-2-methylphenyl)-4-methyl-6-methoxy-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366637
4-Hydrazino-8-methoxy-2-methylquinoline
CID 460140
2-Methyl-8-quinolyl pyrrolidinecarboxylate
CID 970906

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid?
The IUPAC name of 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid (CID 122048748) is 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid is COc1cccc2c(N(C)C(C)C(=O)O)cc(C)nc12.
What is the InChIKey of 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid?
The InChIKey is BGNIBKXPGCTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-8-12(17(3)10(2)15(18)19)11-6-5-7-13(20-4)14(11)16-9/h5-8,10H,1-4H3,(H,18,19).
What are the key properties of 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid?
2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-2-methylquinolin-4-yl)-methylamino]propanoic acid is sourced from PubChem (CID 122048748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).