3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

C80H65F9N8O12 — CID 158185430

IUPAC3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)NCC(F)(F)F)C1=O.COc1ccc(COc2c3c(c(C(=O)NCC(F)(F)F)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C30H25F4N3O4.C28H23FN2O5.C22H17F4N3O3/c1-37-14-23-24(28(38)36-16-30(32,33)34)22-12-19(11-17-3-7-20(31)8-4-17)13-35-26(22)27(25(23)29(37)39)41-15-18-5-9-21(40-2)10-6-18;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-29-9-15-16(20(31)28-10-22(24,25)26)14-7-12(6-11-2-4-13(23)5-3-11)8-27-18(14)19(30)17(15)21(29)32/h3-10,12-13H,11,14-16H2,1-2H3,(H,36,38);3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,7-8,30H,6,9-10H2,1H3,(H,28,31)
InChIKeyFZBWMAWLLQUBKV-UHFFFAOYSA-N
MW1501.43 g/mol
LogP13.81
Rot. Bonds19

About 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 158185430) has the molecular formula C80H65F9N8O12 and a molecular weight of 1501.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID158185430
Molecular FormulaC80H65F9N8O12
Molecular Weight1501.43 g/mol
Exact Mass1500.46
IUPAC Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)NCC(F)(F)F)C1=O.COc1ccc(COc2c3c(c(C(=O)NCC(F)(F)F)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C30H25F4N3O4.C28H23FN2O5.C22H17F4N3O3/c1-37-14-23-24(28(38)36-16-30(32,33)34)22-12-19(11-17-3-7-20(31)8-4-17)13-35-26(22)27(25(23)29(37)39)41-15-18-5-9-21(40-2)10-6-18;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-29-9-15-16(20(31)28-10-22(24,25)26)14-7-12(6-11-2-4-13(23)5-3-11)8-27-18(14)19(30)17(15)21(29)32/h3-10,12-13H,11,14-16H2,1-2H3,(H,36,38);3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,7-8,30H,6,9-10H2,1H3,(H,28,31)
InChIKeyFZBWMAWLLQUBKV-UHFFFAOYSA-N
XLogP13.81
TPSA252.25 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.43
LogP ≤ 513.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide with MolForge

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylate
CID 42601466
tert-butyl 2-[[3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carbonyl]amino]-2-methylpropanoate
CID 57969385
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57969388
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999839
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-N,N-dimethyl-8-oxo-6,7-dihydropyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999862
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999865
3-[(4-fluorophenyl)methyl]-5-(4-fluoropiperidine-1-carbonyl)-9-[(4-methoxyphenyl)methoxy]-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999911
2-[3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]acetic acid
CID 57999924
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999929
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-[2-(methylamino)ethyl]-6H-pyrrolo[3,4-g]quinolin-8-one
CID 57999937
9-benzhydryloxy-7-[(2,4-dimethoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999938
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 57999962

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 158185430) is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)NCC(F)(F)F)C1=O.COc1ccc(COc2c3c(c(C(=O)NCC(F)(F)F)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.COc1ccc(COc2c3c(c(C(=O)O)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is FZBWMAWLLQUBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F4N3O4.C28H23FN2O5.C22H17F4N3O3/c1-37-14-23-24(28(38)36-16-30(32,33)34)22-12-19(11-17-3-7-20(31)8-4-17)13-35-26(22)27(25(23)29(37)39)41-15-18-5-9-21(40-2)10-6-18;1-31-14-22-23(28(33)34)21-12-18(11-16-3-7-19(29)8-4-16)13-30-25(21)26(24(22)27(31)32)36-15-17-5-9-20(35-2)10-6-17;1-29-9-15-16(20(31)28-10-22(24,25)26)14-7-12(6-11-2-4-13(23)5-3-11)8-27-18(14)19(30)17(15)21(29)32/h3-10,12-13H,11,14-16H2,1-2H3,(H,36,38);3-10,12-13H,11,14-15H2,1-2H3,(H,33,34);2-5,7-8,30H,6,9-10H2,1H3,(H,28,31).
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 1501.43 g/mol, XLogP of 13.81, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxylic acid;3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 158185430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).