2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid

C18H13ClFNO3 — CID 155127568

IUPAC2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(-c3ccccc3Cl)cc(F)nc2c1)C(=O)O
InChIInChI=1S/C18H13ClFNO3/c1-10(18(22)23)24-11-6-7-13-14(9-17(20)21-16(13)8-11)12-4-2-3-5-15(12)19/h2-10H,1H3,(H,22,23)
InChIKeyHILQJKYRLGKXEI-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid

2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid (PubChem CID 155127568) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid
PubChem CID155127568
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(-c3ccccc3Cl)cc(F)nc2c1)C(=O)O
InChIInChI=1S/C18H13ClFNO3/c1-10(18(22)23)24-11-6-7-13-14(9-17(20)21-16(13)8-11)12-4-2-3-5-15(12)19/h2-10H,1H3,(H,22,23)
InChIKeyHILQJKYRLGKXEI-UHFFFAOYSA-N
XLogP4.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[2-chloro-4-(2-chlorophenyl)quinolin-7-yl]oxypropanoylamino]cyclobutane-1-carboxylate
CID 155127449
2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
CID 25017590
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
tert-butyl (2R)-2-[2-chloro-4-(2-methylphenyl)quinolin-7-yl]oxypropanoate
CID 155141285
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
propan-2-yl 2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 174138415
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-[3-(2-fluorophenyl)phenoxy]propanoic acid
CID 82044896
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
CID 155127486
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid
CID 22769944
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid?
The IUPAC name of 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid (CID 155127568) is 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid is CC(Oc1ccc2c(-c3ccccc3Cl)cc(F)nc2c1)C(=O)O.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid?
The InChIKey is HILQJKYRLGKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c1-10(18(22)23)24-11-6-7-13-14(9-17(20)21-16(13)8-11)12-4-2-3-5-15(12)19/h2-10H,1H3,(H,22,23).
What are the key properties of 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid?
2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid has a molecular weight of 345.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid is sourced from PubChem (CID 155127568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).