7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline

C139H129F3N8O10 — CID 159718044

IUPAC7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline
SMILESCC(=O)Nc1ccc(-c2ccc(C)cc2)cc1.CCN(CC)c1ccc2c(C)cc(=O)oc2c1.CN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O.CN1C(=O)c2cccc3cccc(c23)C1=O.COC1=CC2OC(=O)C(C)C=C2C=C1.Cc1c[nH]c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H12.C15H14N2O2.C15H15NO.C14H17NO2.C13H9NO2.C13H12.C11H8F3N.C11H12O3.C11H10.C10H11N.C9H9N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19;1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-12(2)17;1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-4-5-15-10-6-8(11(12,13)14)2-3-9(7)10;1-7-5-8-3-4-9(13-2)6-10(8)14-11(7)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-6-10-9-5-3-2-4-8(7)9/h2-10H,1H3;4-8H,1-3H3;3-10H,1-2H3,(H,16,17);6-9H,4-5H2,1-3H3;2-7H,1H3;2-10H,1H3;2-6H,1H3;3-7,10H,1-2H3;2-8H,1H3;3-6,11H,1-2H3;2-6,10H,1H3
InChIKeyMZRIGVRRJLEMOK-UHFFFAOYSA-N
MW2128.60 g/mol
LogP32.87
Rot. Bonds8

About 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline

7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline (PubChem CID 159718044) has the molecular formula C139H129F3N8O10 and a molecular weight of 2128.60 g/mol. Its IUPAC name is 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline
PubChem CID159718044
Molecular FormulaC139H129F3N8O10
Molecular Weight2128.60 g/mol
Exact Mass2126.98
IUPAC Name7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline
SMILESCC(=O)Nc1ccc(-c2ccc(C)cc2)cc1.CCN(CC)c1ccc2c(C)cc(=O)oc2c1.CN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O.CN1C(=O)c2cccc3cccc(c23)C1=O.COC1=CC2OC(=O)C(C)C=C2C=C1.Cc1c[nH]c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H12.C15H14N2O2.C15H15NO.C14H17NO2.C13H9NO2.C13H12.C11H8F3N.C11H12O3.C11H10.C10H11N.C9H9N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19;1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-12(2)17;1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-4-5-15-10-6-8(11(12,13)14)2-3-9(7)10;1-7-5-8-3-4-9(13-2)6-10(8)14-11(7)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-6-10-9-5-3-2-4-8(7)9/h2-10H,1H3;4-8H,1-3H3;3-10H,1-2H3,(H,16,17);6-9H,4-5H2,1-3H3;2-7H,1H3;2-10H,1H3;2-6H,1H3;3-7,10H,1-2H3;2-8H,1H3;3-6,11H,1-2H3;2-6,10H,1H3
InChIKeyMZRIGVRRJLEMOK-UHFFFAOYSA-N
XLogP32.87
TPSA220.55 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.60
LogP ≤ 532.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline with MolForge

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Related Compounds

2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 46889643
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
1H-Indol-6-yl 6-{1,5-dimethyl-4-[methyl(phenyl)carbamoyl]-1H-pyrrol-2-yl}-7-[(3S)-3-(morpholin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 121453539
(2R)-N-[3-[1-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 171833698
2-[[2-[2-[4-[1-[2-[6-(carboxymethylcarbamoyl)-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-carbonyl]amino]acetic acid;bis(2,2,2-trifluoroacetate);bis(2,2,2-trifluoroacetic acid)
CID 44379901
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indole-3-carboxylic acid
CID 69645924
1-[2-(N,3-diethylanilino)-2-oxoethyl]-N-[4-[6-[[2-[1-oxo-3',6'-bis[(2,2,2-trifluoroacetyl)amino]spiro[2-benzofuran-3,9'-xanthene]-5-yl]acetyl]amino]hexylcarbamoyl]cyclohexyl]indole-2-carboxamide
CID 135199595
1-[2-(N,3-diethylanilino)-2-oxoethyl]-N-[4-[6-[[3-oxo-3',6'-bis[(2,2,2-trifluoroacetyl)amino]spiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]hexylcarbamoyl]cyclohexyl]indole-2-carboxamide
CID 135199600
1-[2-(N,3-diethylanilino)-2-oxoethyl]-N-[4-[8-[[3-oxo-3',6'-bis[(2,2,2-trifluoroacetyl)amino]spiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]octylcarbamoyl]cyclohexyl]indole-2-carboxamide
CID 135199660
2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-2,7-dimethylquinolin-3-yl]acetic acid
CID 145699147
4-anilino-6-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoylamino]butylcarbamoyl]-3-fluorophenyl]-7-methoxy-N-methylquinoline-3-carboxamide
CID 153542861
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155277931

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline?
The IUPAC name of 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline (CID 159718044) is 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline is CC(=O)Nc1ccc(-c2ccc(C)cc2)cc1.CCN(CC)c1ccc2c(C)cc(=O)oc2c1.CN1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O.CN1C(=O)c2cccc3cccc(c23)C1=O.COC1=CC2OC(=O)C(C)C=C2C=C1.Cc1c[nH]c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline?
The InChIKey is MZRIGVRRJLEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.C15H14N2O2.C15H15NO.C14H17NO2.C13H9NO2.C13H12.C11H8F3N.C11H12O3.C11H10.C10H11N.C9H9N/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19;1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)16-12(2)17;1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-4-5-15-10-6-8(11(12,13)14)2-3-9(7)10;1-7-5-8-3-4-9(13-2)6-10(8)14-11(7)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-6-10-9-5-3-2-4-8(7)9/h2-10H,1H3;4-8H,1-3H3;3-10H,1-2H3,(H,16,17);6-9H,4-5H2,1-3H3;2-7H,1H3;2-10H,1H3;2-6H,1H3;3-7,10H,1-2H3;2-8H,1H3;3-6,11H,1-2H3;2-6,10H,1H3.
What are the key properties of 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline?
7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline has a molecular weight of 2128.60 g/mol, XLogP of 32.87, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-methylchromen-2-one;6-(dimethylamino)-2-methylbenzo[de]isoquinoline-1,3-dione;3,6-dimethyl-1H-indole;7-methoxy-3-methyl-3,8a-dihydrochromen-2-one;2-methylbenzo[de]isoquinoline-1,3-dione;3-methyl-1H-indole;2-methylnaphthalene;1-methyl-4-phenylbenzene;N-[4-(4-methylphenyl)phenyl]acetamide;1-methylpyrene;4-methyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 159718044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).