4-(3-phenylquinolin-2-yl)butanoic acid

C19H17NO2 — CID 70381801

IUPAC4-(3-phenylquinolin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C19H17NO2/c21-19(22)12-6-11-18-16(14-7-2-1-3-8-14)13-15-9-4-5-10-17(15)20-18/h1-5,7-10,13H,6,11-12H2,(H,21,22)
InChIKeyQFNAAPGBMDRTBK-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.31
Rot. Bonds5

About 4-(3-phenylquinolin-2-yl)butanoic acid

4-(3-phenylquinolin-2-yl)butanoic acid (PubChem CID 70381801) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(3-phenylquinolin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-phenylquinolin-2-yl)butanoic acid
PubChem CID70381801
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name4-(3-phenylquinolin-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C19H17NO2/c21-19(22)12-6-11-18-16(14-7-2-1-3-8-14)13-15-9-4-5-10-17(15)20-18/h1-5,7-10,13H,6,11-12H2,(H,21,22)
InChIKeyQFNAAPGBMDRTBK-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylquinolin-2-yl)butanoic acid?
The IUPAC name of 4-(3-phenylquinolin-2-yl)butanoic acid (CID 70381801) is 4-(3-phenylquinolin-2-yl)butanoic acid.
What is the SMILES notation for 4-(3-phenylquinolin-2-yl)butanoic acid?
The canonical SMILES for 4-(3-phenylquinolin-2-yl)butanoic acid is O=C(O)CCCc1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 4-(3-phenylquinolin-2-yl)butanoic acid?
The InChIKey is QFNAAPGBMDRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(22)12-6-11-18-16(14-7-2-1-3-8-14)13-15-9-4-5-10-17(15)20-18/h1-5,7-10,13H,6,11-12H2,(H,21,22).
What are the key properties of 4-(3-phenylquinolin-2-yl)butanoic acid?
4-(3-phenylquinolin-2-yl)butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylquinolin-2-yl)butanoic acid is sourced from PubChem (CID 70381801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).