2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid

C15H18N2O3 — CID 110432706

IUPAC2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
SMILESCOCCCNc1cc(CC(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-20-8-4-7-16-14-9-11(10-15(18)19)17-13-6-3-2-5-12(13)14/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyWUFAWSYZTCJOBU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds7

About 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid

2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid (PubChem CID 110432706) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
PubChem CID110432706
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
SMILESCOCCCNc1cc(CC(=O)O)nc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-20-8-4-7-16-14-9-11(10-15(18)19)17-13-6-3-2-5-12(13)14/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,16,17)(H,18,19)
InChIKeyWUFAWSYZTCJOBU-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid (CID 110432706) is 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid is COCCCNc1cc(CC(=O)O)nc2ccccc12.
What is the InChIKey of 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid?
The InChIKey is WUFAWSYZTCJOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-8-4-7-16-14-9-11(10-15(18)19)17-13-6-3-2-5-12(13)14/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid?
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110432706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).