3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid

C15H16N2O4 — CID 103152204

IUPAC3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccc2ccccc2n1)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIMCMDGGZUGNUFJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.45
Rot. Bonds6

About 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid

3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid (PubChem CID 103152204) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
PubChem CID103152204
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccc2ccccc2n1)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIMCMDGGZUGNUFJ-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-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid (CID 103152204) is 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid is COC(CNC(=O)c1ccc2ccccc2n1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid?
The InChIKey is IMCMDGGZUGNUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-11(8-14(18)19)9-16-15(20)13-7-6-10-4-2-3-5-12(10)17-13/h2-7,11H,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid?
3-methoxy-4-(quinoline-2-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-2-carbonylamino)butanoic acid is sourced from PubChem (CID 103152204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).