2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid

C20H16FNO3 — CID 71817234

IUPAC2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCC3CC3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C20H16FNO3/c21-14-5-8-18-16(9-14)17(20(23)24)10-19(22-18)13-3-6-15(7-4-13)25-11-12-1-2-12/h3-10,12H,1-2,11H2,(H,23,24)
InChIKeyQMWMKNQZRPRZMV-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.53
Rot. Bonds5

About 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid

2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid (PubChem CID 71817234) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid
PubChem CID71817234
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCC3CC3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C20H16FNO3/c21-14-5-8-18-16(9-14)17(20(23)24)10-19(22-18)13-3-6-15(7-4-13)25-11-12-1-2-12/h3-10,12H,1-2,11H2,(H,23,24)
InChIKeyQMWMKNQZRPRZMV-UHFFFAOYSA-N
XLogP4.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid (CID 71817234) is 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(OCC3CC3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid?
The InChIKey is QMWMKNQZRPRZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-14-5-8-18-16(9-14)17(20(23)24)10-19(22-18)13-3-6-15(7-4-13)25-11-12-1-2-12/h3-10,12H,1-2,11H2,(H,23,24).
What are the key properties of 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid?
2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)phenyl]-6-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 71817234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).