3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

C98H67F7N16O12S3 — CID 158546006

IUPAC3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1ccc(F)cc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1ccsc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C26H17F3N4O3.2C24H16F2N4O3S.C24H18N4O3S/c1-32-21-12-31-20-10-22(35-2)23(36-13-14-3-5-16(27)6-4-14)9-17(20)24(21)33(26(32)34)25-18(28)7-15(11-30)8-19(25)29;1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26;1-29-19-11-28-18-9-20(32-2)21(33-12-14-4-3-5-34-14)8-15(18)22(19)30(24(29)31)23-16(25)6-13(10-27)7-17(23)26;1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-10,12H,13H2,1-2H3;3-8,10,12H,11H2,1-2H3;3-9,11H,12H2,1-2H3;3-11,13H,14H2,1-2H3
InChIKeyHPCRWXBTBXDPCI-UHFFFAOYSA-N
MW1889.90 g/mol
LogP18.50
Rot. Bonds20

About 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile

3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 158546006) has the molecular formula C98H67F7N16O12S3 and a molecular weight of 1889.90 g/mol. Its IUPAC name is 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID158546006
Molecular FormulaC98H67F7N16O12S3
Molecular Weight1889.90 g/mol
Exact Mass1888.42
IUPAC Name3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1ccc(F)cc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1ccsc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C26H17F3N4O3.2C24H16F2N4O3S.C24H18N4O3S/c1-32-21-12-31-20-10-22(35-2)23(36-13-14-3-5-16(27)6-4-14)9-17(20)24(21)33(26(32)34)25-18(28)7-15(11-30)8-19(25)29;1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26;1-29-19-11-28-18-9-20(32-2)21(33-12-14-4-3-5-34-14)8-15(18)22(19)30(24(29)31)23-16(25)6-13(10-27)7-17(23)26;1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-10,12H,13H2,1-2H3;3-8,10,12H,11H2,1-2H3;3-9,11H,12H2,1-2H3;3-11,13H,14H2,1-2H3
InChIKeyHPCRWXBTBXDPCI-UHFFFAOYSA-N
XLogP18.50
TPSA328.28 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.90
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 158546006) is 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c2cc1OCc1ccc(F)cc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1cccs1)n(-c1ccc(C#N)cc1)c(=O)n3C.COc1cc2ncc3c(c2cc1OCc1ccsc1)n(-c1c(F)cc(C#N)cc1F)c(=O)n3C.
What is the InChIKey of 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is HPCRWXBTBXDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O3.2C24H16F2N4O3S.C24H18N4O3S/c1-32-21-12-31-20-10-22(35-2)23(36-13-14-3-5-16(27)6-4-14)9-17(20)24(21)33(26(32)34)25-18(28)7-15(11-30)8-19(25)29;1-29-19-10-28-18-8-20(32-2)21(33-11-13-3-4-34-12-13)7-15(18)22(19)30(24(29)31)23-16(25)5-14(9-27)6-17(23)26;1-29-19-11-28-18-9-20(32-2)21(33-12-14-4-3-5-34-14)8-15(18)22(19)30(24(29)31)23-16(25)6-13(10-27)7-17(23)26;1-27-20-13-26-19-11-21(30-2)22(31-14-17-4-3-9-32-17)10-18(19)23(20)28(24(27)29)16-7-5-15(12-25)6-8-16/h3-10,12H,13H2,1-2H3;3-8,10,12H,11H2,1-2H3;3-9,11H,12H2,1-2H3;3-11,13H,14H2,1-2H3.
What are the key properties of 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 1889.90 g/mol, XLogP of 18.50, 20 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[8-[(4-fluorophenyl)methoxy]-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-2-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 158546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).