3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid

C15H16N2O4 — CID 103152748

IUPAC3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2cccnc12)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-11(8-13(18)19)9-17-15(20)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQMUJLAPNZNNYKW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.45
Rot. Bonds6

About 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid

3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid (PubChem CID 103152748) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
PubChem CID103152748
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2cccnc12)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-11(8-13(18)19)9-17-15(20)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQMUJLAPNZNNYKW-UHFFFAOYSA-N
XLogP1.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
CID 106165340
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid (CID 103152748) is 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid is COC(CNC(=O)c1cccc2cccnc12)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid?
The InChIKey is QMUJLAPNZNNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-11(8-13(18)19)9-17-15(20)12-6-2-4-10-5-3-7-16-14(10)12/h2-7,11H,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid?
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid is sourced from PubChem (CID 103152748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).