4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid

C17H24N2O5 — CID 141198411

IUPAC4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid
SMILESCCC1(N)CCc2cc(OC)ccc2N1C(=O)OCCCC(=O)O
InChIInChI=1S/C17H24N2O5/c1-3-17(18)9-8-12-11-13(23-2)6-7-14(12)19(17)16(22)24-10-4-5-15(20)21/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,20,21)
InChIKeyKRQBHXKNBGEFQA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.51
Rot. Bonds6

About 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid

4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid (PubChem CID 141198411) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid.

Molecular Properties

Compound Name4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid
PubChem CID141198411
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid
SMILESCCC1(N)CCc2cc(OC)ccc2N1C(=O)OCCCC(=O)O
InChIInChI=1S/C17H24N2O5/c1-3-17(18)9-8-12-11-13(23-2)6-7-14(12)19(17)16(22)24-10-4-5-15(20)21/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,20,21)
InChIKeyKRQBHXKNBGEFQA-UHFFFAOYSA-N
XLogP2.51
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid with MolForge

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Related Compounds

(6-ethoxy-6-oxohexyl) 2-amino-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1-carboxylate
CID 141123933
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
CID 122021374
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-(7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 165350864
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid
CID 154226685

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid?
The IUPAC name of 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid (CID 141198411) is 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid.
What is the SMILES notation for 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid?
The canonical SMILES for 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid is CCC1(N)CCc2cc(OC)ccc2N1C(=O)OCCCC(=O)O.
What is the InChIKey of 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid?
The InChIKey is KRQBHXKNBGEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-3-17(18)9-8-12-11-13(23-2)6-7-14(12)19(17)16(22)24-10-4-5-15(20)21/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid?
4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid has a molecular weight of 336.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethyl-6-methoxy-3,4-dihydroquinoline-1-carbonyl)oxybutanoic acid is sourced from PubChem (CID 141198411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).