N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

C16H13F3N2O — CID 75524834

IUPACN-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)15-7-14(8-15,9-15)13(22)21-11-3-4-12-10(6-11)2-1-5-20-12/h1-6H,7-9H2,(H,21,22)
InChIKeyBLMXHLABGHASJH-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.91
Rot. Bonds2

About N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide

N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 75524834) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID75524834
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)15-7-14(8-15,9-15)13(22)21-11-3-4-12-10(6-11)2-1-5-20-12/h1-6H,7-9H2,(H,21,22)
InChIKeyBLMXHLABGHASJH-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 75524834) is N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is O=C(Nc1ccc2ncccc2c1)C12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is BLMXHLABGHASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)15-7-14(8-15,9-15)13(22)21-11-3-4-12-10(6-11)2-1-5-20-12/h1-6H,7-9H2,(H,21,22).
What are the key properties of N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide?
N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 75524834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).