1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid

C14H11F2NO3 — CID 177268873

IUPAC1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC(F)F)c3ncccc23)CC1
InChIInChI=1S/C14H11F2NO3/c15-13(16)20-10-4-3-9(14(5-6-14)12(18)19)8-2-1-7-17-11(8)10/h1-4,7,13H,5-6H2,(H,18,19)
InChIKeyQWZCRCKJYIOMBB-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.95
Rot. Bonds4

About 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid

1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 177268873) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid
PubChem CID177268873
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC(F)F)c3ncccc23)CC1
InChIInChI=1S/C14H11F2NO3/c15-13(16)20-10-4-3-9(14(5-6-14)12(18)19)8-2-1-7-17-11(8)10/h1-4,7,13H,5-6H2,(H,18,19)
InChIKeyQWZCRCKJYIOMBB-UHFFFAOYSA-N
XLogP2.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid (CID 177268873) is 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(OC(F)F)c3ncccc23)CC1.
What is the InChIKey of 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is QWZCRCKJYIOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-13(16)20-10-4-3-9(14(5-6-14)12(18)19)8-2-1-7-17-11(8)10/h1-4,7,13H,5-6H2,(H,18,19).
What are the key properties of 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid?
1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 177268873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).