2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C17H9F2N5 — CID 126712441

IUPAC2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(C(F)(F)c4ccccn4)nc3c2c1
InChIInChI=1S/C17H9F2N5/c18-17(19,14-3-1-2-6-21-14)16-23-13-9-22-12-5-4-10(8-20)7-11(12)15(13)24-16/h1-7,9H,(H,23,24)
InChIKeyDUPJJOMHFPACLS-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.52
Rot. Bonds2

About 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 126712441) has the molecular formula C17H9F2N5 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID126712441
Molecular FormulaC17H9F2N5
Molecular Weight321.29 g/mol
Exact Mass321.08
IUPAC Name2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3[nH]c(C(F)(F)c4ccccn4)nc3c2c1
InChIInChI=1S/C17H9F2N5/c18-17(19,14-3-1-2-6-21-14)16-23-13-9-22-12-5-4-10(8-20)7-11(12)15(13)24-16/h1-7,9H,(H,23,24)
InChIKeyDUPJJOMHFPACLS-UHFFFAOYSA-N
XLogP3.52
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 126712441) is 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2ncc3[nH]c(C(F)(F)c4ccccn4)nc3c2c1.
What is the InChIKey of 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is DUPJJOMHFPACLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N5/c18-17(19,14-3-1-2-6-21-14)16-23-13-9-22-12-5-4-10(8-20)7-11(12)15(13)24-16/h1-7,9H,(H,23,24).
What are the key properties of 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 321.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 126712441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).