3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile

C92H64F7N23O8 — CID 161380706

IUPAC3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cc(C(F)(F)F)nn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccn[nH]1)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccnn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C24H16F4N6O2.C23H17FN6O2.C23H16FN5O2.C22H15FN6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25;1-28-20-12-26-17-10-21(32-3)15(18-6-7-27-29(18)2)9-14(17)22(20)30(23(28)31)19-5-4-13(11-25)8-16(19)24;1-28-20-12-27-18-9-21(31-2)15(14-5-6-26-11-14)8-16(18)22(20)29(23(28)30)19-4-3-13(10-25)7-17(19)24;1-28-19-11-25-17-9-20(31-2)13(16-5-6-26-27-16)8-14(17)21(19)29(22(28)30)18-4-3-12(10-24)7-15(18)23/h4-9,11H,1-3H3;4-10,12H,1-3H3;3-5,7-9,11-12H,6H2,1-2H3;3-9,11H,1-2H3,(H,26,27)
InChIKeyVRRKJPTTWCPOFI-UHFFFAOYSA-N
MW1752.66 g/mol
LogP14.26
Rot. Bonds12

About 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile

3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 161380706) has the molecular formula C92H64F7N23O8 and a molecular weight of 1752.66 g/mol. Its IUPAC name is 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID161380706
Molecular FormulaC92H64F7N23O8
Molecular Weight1752.66 g/mol
Exact Mass1751.52
IUPAC Name3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cc(C(F)(F)F)nn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccn[nH]1)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccnn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C24H16F4N6O2.C23H17FN6O2.C23H16FN5O2.C22H15FN6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25;1-28-20-12-26-17-10-21(32-3)15(18-6-7-27-29(18)2)9-14(17)22(20)30(23(28)31)19-5-4-13(11-25)8-16(19)24;1-28-20-12-27-18-9-21(31-2)15(14-5-6-26-11-14)8-16(18)22(20)29(23(28)30)19-4-3-13(10-25)7-17(19)24;1-28-19-11-25-17-9-20(31-2)13(16-5-6-26-27-16)8-14(17)21(19)29(22(28)30)18-4-3-12(10-24)7-15(18)23/h4-9,11H,1-3H3;4-10,12H,1-3H3;3-5,7-9,11-12H,6H2,1-2H3;3-9,11H,1-2H3,(H,26,27)
InChIKeyVRRKJPTTWCPOFI-UHFFFAOYSA-N
XLogP14.26
TPSA368.04 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001752.66
LogP ≤ 514.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile with MolForge

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Related Compounds

3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
3-Fluoro-4-[7-methoxy-3-methyl-8-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847642
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847639
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847641
US10457677, Example 44
CID 122599161
US10457677, Example 43
CID 122599283
US10457677, Example 151
CID 134325523
US10457677, Example 118
CID 134325539
US10457677, Example 121
CID 134325549
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589329
1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122599341
1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122599443

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 161380706) is 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c2cc1-c1cc(C(F)(F)F)nn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccn[nH]1)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1ccnn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1C1=CCN=C1)n(-c1ccc(C#N)cc1F)c(=O)n3C.
What is the InChIKey of 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is VRRKJPTTWCPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N6O2.C23H17FN6O2.C23H16FN5O2.C22H15FN6O2/c1-32-19-11-30-16-8-20(36-3)14(18-9-21(24(26,27)28)31-33(18)2)7-13(16)22(19)34(23(32)35)17-5-4-12(10-29)6-15(17)25;1-28-20-12-26-17-10-21(32-3)15(18-6-7-27-29(18)2)9-14(17)22(20)30(23(28)31)19-5-4-13(11-25)8-16(19)24;1-28-20-12-27-18-9-21(31-2)15(14-5-6-26-11-14)8-16(18)22(20)29(23(28)30)19-4-3-13(10-25)7-17(19)24;1-28-19-11-25-17-9-20(31-2)13(16-5-6-26-27-16)8-14(17)21(19)29(22(28)30)18-4-3-12(10-24)7-15(18)23/h4-9,11H,1-3H3;4-10,12H,1-3H3;3-5,7-9,11-12H,6H2,1-2H3;3-9,11H,1-2H3,(H,26,27).
What are the key properties of 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 1752.66 g/mol, XLogP of 14.26, 12 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 161380706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).