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

C15H16N2O4 — CID 103152989

IUPAC3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccnc2ccccc12)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-6-7-16-13-5-3-2-4-11(12)13/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFSVDTEARUMNKAA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.45
Rot. Bonds6

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

3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid (PubChem CID 103152989) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
PubChem CID103152989
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccnc2ccccc12)CC(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-6-7-16-13-5-3-2-4-11(12)13/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFSVDTEARUMNKAA-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
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid (CID 103152989) is 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid is COC(CNC(=O)c1ccnc2ccccc12)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid?
The InChIKey is FSVDTEARUMNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-6-7-16-13-5-3-2-4-11(12)13/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid?
3-methoxy-4-(quinoline-4-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-4-carbonylamino)butanoic acid is sourced from PubChem (CID 103152989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).