2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile

C23H15FN4O — CID 175843115

IUPAC2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile
SMILESCC(C#N)c1cc2c(ncc3[nH]cnc32)c(F)c1-c1cc(O)cc2ccccc12
InChIInChI=1S/C23H15FN4O/c1-12(9-25)16-8-18-22-19(27-11-28-22)10-26-23(18)21(24)20(16)17-7-14(29)6-13-4-2-3-5-15(13)17/h2-8,10-12,29H,1H3,(H,27,28)
InChIKeyDHGYJYGVXWMWCU-UHFFFAOYSA-N
MW382.40 g/mol
LogP5.40
Rot. Bonds2

About 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile

2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile (PubChem CID 175843115) has the molecular formula C23H15FN4O and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile.

Molecular Properties

Compound Name2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile
PubChem CID175843115
Molecular FormulaC23H15FN4O
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile
SMILESCC(C#N)c1cc2c(ncc3[nH]cnc32)c(F)c1-c1cc(O)cc2ccccc12
InChIInChI=1S/C23H15FN4O/c1-12(9-25)16-8-18-22-19(27-11-28-22)10-26-23(18)21(24)20(16)17-7-14(29)6-13-4-2-3-5-15(13)17/h2-8,10-12,29H,1H3,(H,27,28)
InChIKeyDHGYJYGVXWMWCU-UHFFFAOYSA-N
XLogP5.40
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile?
The IUPAC name of 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile (CID 175843115) is 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile.
What is the SMILES notation for 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile?
The canonical SMILES for 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile is CC(C#N)c1cc2c(ncc3[nH]cnc32)c(F)c1-c1cc(O)cc2ccccc12.
What is the InChIKey of 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile?
The InChIKey is DHGYJYGVXWMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O/c1-12(9-25)16-8-18-22-19(27-11-28-22)10-26-23(18)21(24)20(16)17-7-14(29)6-13-4-2-3-5-15(13)17/h2-8,10-12,29H,1H3,(H,27,28).
What are the key properties of 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile?
2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile has a molecular weight of 382.40 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile is sourced from PubChem (CID 175843115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).