2-cyclopropyl-6-fluoroquinoline-4-carboxamide

C13H11FN2O — CID 71870785

IUPAC2-cyclopropyl-6-fluoroquinoline-4-carboxamide
SMILESNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C13H11FN2O/c14-8-3-4-11-9(5-8)10(13(15)17)6-12(16-11)7-1-2-7/h3-7H,1-2H2,(H2,15,17)
InChIKeyMXYMNYMEEVIJPH-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.35
Rot. Bonds2

About 2-cyclopropyl-6-fluoroquinoline-4-carboxamide

2-cyclopropyl-6-fluoroquinoline-4-carboxamide (PubChem CID 71870785) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoroquinoline-4-carboxamide
PubChem CID71870785
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-cyclopropyl-6-fluoroquinoline-4-carboxamide
SMILESNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C13H11FN2O/c14-8-3-4-11-9(5-8)10(13(15)17)6-12(16-11)7-1-2-7/h3-7H,1-2H2,(H2,15,17)
InChIKeyMXYMNYMEEVIJPH-UHFFFAOYSA-N
XLogP2.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoroquinoline-4-carboxamide (CID 71870785) is 2-cyclopropyl-6-fluoroquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoroquinoline-4-carboxamide is NC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The InChIKey is MXYMNYMEEVIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-8-3-4-11-9(5-8)10(13(15)17)6-12(16-11)7-1-2-7/h3-7H,1-2H2,(H2,15,17).
What are the key properties of 2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
2-cyclopropyl-6-fluoroquinoline-4-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoroquinoline-4-carboxamide is sourced from PubChem (CID 71870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).