9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

C102H86ClF7N18O8S — CID 159934529

IUPAC9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCS(=O)(=O)CCCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C30H27ClFN3O4S.C30H23N5O.C24H15F3N4O.C18H21F3N6O2/c1-40(36,37)14-3-2-7-24-10-13-28(39-24)21-8-11-27-25(16-21)30(34-19-33-27)35-23-9-12-29(26(31)17-23)38-18-20-5-4-6-22(32)15-20;1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h4-6,8-13,15-17,19H,2-3,7,14,18H2,1H3,(H,33,34,35);4-17H,1-3H3;1-13H,(H2,28,30);9-11H,1-8H2,(H2,22,23)
InChIKeyOABLXIMTXFMZMV-UHFFFAOYSA-N
MW1892.43 g/mol
LogP20.28
Rot. Bonds19

About 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile

9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 159934529) has the molecular formula C102H86ClF7N18O8S and a molecular weight of 1892.43 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID159934529
Molecular FormulaC102H86ClF7N18O8S
Molecular Weight1892.43 g/mol
Exact Mass1890.62
IUPAC Name9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCS(=O)(=O)CCCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C30H27ClFN3O4S.C30H23N5O.C24H15F3N4O.C18H21F3N6O2/c1-40(36,37)14-3-2-7-24-10-13-28(39-24)21-8-11-27-25(16-21)30(34-19-33-27)35-23-9-12-29(26(31)17-23)38-18-20-5-4-6-22(32)15-20;1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h4-6,8-13,15-17,19H,2-3,7,14,18H2,1H3,(H,33,34,35);4-17H,1-3H3;1-13H,(H2,28,30);9-11H,1-8H2,(H2,22,23)
InChIKeyOABLXIMTXFMZMV-UHFFFAOYSA-N
XLogP20.28
TPSA334.25 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.43
LogP ≤ 520.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile with MolForge

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Related Compounds

N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-(5-((benzyl(2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine
CID 9874613
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[2-(1-methylimidazol-2-yl)sulfonylethylamino]methyl]furan-2-yl]quinazolin-4-amine;hydrochloride
CID 44532633
2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl 5-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl-(2-methylsulfonylethyl)amino]-5-oxopentanoate
CID 166632959
2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl 4-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl-(2-methylsulfonylethyl)amino]-4-oxobutanoate
CID 166635313
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-N-(2-(methylsulfonyl)ethyl)-3-(pyridin-3-yl)acrylamide
CID 168432088
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[2-(1-methylimidazol-2-yl)sulfonylethylamino]methyl]furan-2-yl]quinazolin-4-amine
CID 9874292
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[N-(2-methylsulfonylethyl)anilino]methyl]furan-2-yl]quinazolin-4-amine
CID 68454009
bis[[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl-(2-methylsulfonylethyl)carbamoyl]oxymethoxy]phosphoryloxymethyl N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-(2-methylsulfonylethyl)carbamate
CID 87501261
4-[2-chloro-4-[[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-yl]amino]phenoxy]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 91022512
4-[2-chloro-4-[[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-yl]amino]phenoxy]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 91227223
Acetamide, N-[[5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furanyl]methyl]-2,2,2-trifluoro-N-[2-(methylsulfonyl)ethyl]-
CID 117654963
N-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methyl]-N-(2-methylsulfonylethyl)acetamide
CID 132154141

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 159934529) is 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is CS(=O)(=O)CCCCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is OABLXIMTXFMZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClFN3O4S.C30H23N5O.C24H15F3N4O.C18H21F3N6O2/c1-40(36,37)14-3-2-7-24-10-13-28(39-24)21-8-11-27-25(16-21)30(34-19-33-27)35-23-9-12-29(26(31)17-23)38-18-20-5-4-6-22(32)15-20;1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h4-6,8-13,15-17,19H,2-3,7,14,18H2,1H3,(H,33,34,35);4-17H,1-3H3;1-13H,(H2,28,30);9-11H,1-8H2,(H2,22,23).
What are the key properties of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile?
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 1892.43 g/mol, XLogP of 20.28, 19 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-(4-methylsulfonylbutyl)furan-2-yl]quinazolin-4-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 159934529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).