5-methoxy-2-(quinolin-4-ylamino)pentanoic acid

C15H18N2O3 — CID 81078422

IUPAC5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
SMILESCOCCCC(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-20-10-4-7-14(15(18)19)17-13-8-9-16-12-6-3-2-5-11(12)13/h2-3,5-6,8-9,14H,4,7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyHJGPJKPFMYZBIJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.53
Rot. Bonds7

About 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid

5-methoxy-2-(quinolin-4-ylamino)pentanoic acid (PubChem CID 81078422) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
PubChem CID81078422
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
SMILESCOCCCC(Nc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-20-10-4-7-14(15(18)19)17-13-8-9-16-12-6-3-2-5-11(12)13/h2-3,5-6,8-9,14H,4,7,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyHJGPJKPFMYZBIJ-UHFFFAOYSA-N
XLogP2.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-4-ylamino)butanoic acid
CID 160653467
2-(1,3-benzothiazol-2-ylamino)-5-methoxypentanoic acid
CID 81078689
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
3-(quinolin-4-ylamino)butanamide
CID 115685011
N-pentan-3-ylquinolin-4-amine
CID 61340263

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid?
The IUPAC name of 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid (CID 81078422) is 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid is COCCCC(Nc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid?
The InChIKey is HJGPJKPFMYZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-10-4-7-14(15(18)19)17-13-8-9-16-12-6-3-2-5-11(12)13/h2-3,5-6,8-9,14H,4,7,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid?
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(quinolin-4-ylamino)pentanoic acid is sourced from PubChem (CID 81078422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).