2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one

C96H72N20O5 — CID 160715399

IUPAC2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.CCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.COc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(OC)N2.Cc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(O)N2
InChIInChI=1S/C25H19N5O.C24H19N5O2.C24H17N5O.C23H17N5O/c1-13(2)14-7-8-19-15(11-14)12-18(25(31)28-19)24-29-22-16-5-3-9-26-20(16)21-17(23(22)30-24)6-4-10-27-21;1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-13-7-8-18-14(11-13)12-17(24(30)27-18)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h3-13H,1-2H3,(H,28,31)(H,29,30);3-12,24,27H,1-2H3,(H,28,29);3-12H,2H2,1H3,(H,27,30)(H,28,29);2-11,23,26,29H,1H3,(H,27,28)
InChIKeyRSJZVDAIVIHZSV-UHFFFAOYSA-N
MW1585.77 g/mol
LogP18.88
Rot. Bonds8

About 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one

2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one (PubChem CID 160715399) has the molecular formula C96H72N20O5 and a molecular weight of 1585.77 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one
PubChem CID160715399
Molecular FormulaC96H72N20O5
Molecular Weight1585.77 g/mol
Exact Mass1584.60
IUPAC Name2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.CCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.COc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(OC)N2.Cc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(O)N2
InChIInChI=1S/C25H19N5O.C24H19N5O2.C24H17N5O.C23H17N5O/c1-13(2)14-7-8-19-15(11-14)12-18(25(31)28-19)24-29-22-16-5-3-9-26-20(16)21-17(23(22)30-24)6-4-10-27-21;1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-13-7-8-18-14(11-13)12-17(24(30)27-18)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h3-13H,1-2H3,(H,28,31)(H,29,30);3-12,24,27H,1-2H3,(H,28,29);3-12H,2H2,1H3,(H,27,30)(H,28,29);2-11,23,26,29H,1H3,(H,27,28)
InChIKeyRSJZVDAIVIHZSV-UHFFFAOYSA-N
XLogP18.88
TPSA346.31 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001585.77
LogP ≤ 518.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one with MolForge

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Related Compounds

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 86297884
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one;methane;3-oxo-7-propan-2-yl-4H-naphthalene-2-carbaldehyde;1,10-phenanthroline-5,6-dione
CID 158147687
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one (CID 160715399) is 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one is CC(C)c1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.CCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.COc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(OC)N2.Cc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(O)N2.
What is the InChIKey of 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one?
The InChIKey is RSJZVDAIVIHZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O.C24H19N5O2.C24H17N5O.C23H17N5O/c1-13(2)14-7-8-19-15(11-14)12-18(25(31)28-19)24-29-22-16-5-3-9-26-20(16)21-17(23(22)30-24)6-4-10-27-21;1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-13-7-8-18-14(11-13)12-17(24(30)27-18)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19/h3-13H,1-2H3,(H,28,31)(H,29,30);3-12,24,27H,1-2H3,(H,28,29);3-12H,2H2,1H3,(H,27,30)(H,28,29);2-11,23,26,29H,1H3,(H,27,28).
What are the key properties of 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one?
2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one has a molecular weight of 1585.77 g/mol, XLogP of 18.88, 8 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1,2-dihydroquinolin-2-ol;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 160715399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).