5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one

C113H110BrN13O21 — CID 161021634

IUPAC5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one
SMILESC=C1C=CN(CCn2cc(Br)ccc2=O)c2cc(OC)c(OC)cc21.COc1ccc2c(OCC(C)(C)n3cc(CC(=O)c4ccccc4)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4C(=O)CC[C@@H]4CO)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4CC[C@H](O)C4=O)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(NC(=O)c4ccccc4)ccc3=O)ccnc2c1
InChIInChI=1S/C27H26N2O4.C24H21N3O4.C22H23N3O5.C21H21N3O5.C19H19BrN2O3/c1-27(2,18-33-25-13-14-28-23-16-21(32-3)10-11-22(23)25)29-17-19(9-12-26(29)31)15-24(30)20-7-5-4-6-8-20;1-30-19-8-9-20-21(15-19)25-12-11-22(20)31-14-13-27-16-18(7-10-23(27)28)26-24(29)17-5-3-2-4-6-17;1-29-17-4-5-18-19(12-17)23-9-8-20(18)30-11-10-24-13-15(2-6-21(24)27)25-16(14-26)3-7-22(25)28;1-28-15-3-4-16-17(12-15)22-8-6-19(16)29-11-10-23-13-14(2-5-20(23)26)24-9-7-18(25)21(24)27;1-13-6-7-21(8-9-22-12-14(20)4-5-19(22)23)16-11-18(25-3)17(24-2)10-15(13)16/h4-14,16-17H,15,18H2,1-3H3;2-12,15-16H,13-14H2,1H3,(H,26,29);2,4-6,8-9,12-13,16,26H,3,7,10-11,14H2,1H3;2-6,8,12-13,18,25H,7,9-11H2,1H3;4-7,10-12H,1,8-9H2,2-3H3/t;;16-;18-;/m..10./s1
InChIKeyTYLKNALMHWJNIL-JGLAXAICSA-N
MW2066.10 g/mol
LogP15.61
Rot. Bonds33

About 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one

5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one (PubChem CID 161021634) has the molecular formula C113H110BrN13O21 and a molecular weight of 2066.10 g/mol. Its IUPAC name is 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one
PubChem CID161021634
Molecular FormulaC113H110BrN13O21
Molecular Weight2066.10 g/mol
Exact Mass2063.71
IUPAC Name5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one
SMILESC=C1C=CN(CCn2cc(Br)ccc2=O)c2cc(OC)c(OC)cc21.COc1ccc2c(OCC(C)(C)n3cc(CC(=O)c4ccccc4)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4C(=O)CC[C@@H]4CO)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4CC[C@H](O)C4=O)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(NC(=O)c4ccccc4)ccc3=O)ccnc2c1
InChIInChI=1S/C27H26N2O4.C24H21N3O4.C22H23N3O5.C21H21N3O5.C19H19BrN2O3/c1-27(2,18-33-25-13-14-28-23-16-21(32-3)10-11-22(23)25)29-17-19(9-12-26(29)31)15-24(30)20-7-5-4-6-8-20;1-30-19-8-9-20-21(15-19)25-12-11-22(20)31-14-13-27-16-18(7-10-23(27)28)26-24(29)17-5-3-2-4-6-17;1-29-17-4-5-18-19(12-17)23-9-8-20(18)30-11-10-24-13-15(2-6-21(24)27)25-16(14-26)3-7-22(25)28;1-28-15-3-4-16-17(12-15)22-8-6-19(16)29-11-10-23-13-14(2-5-20(23)26)24-9-7-18(25)21(24)27;1-13-6-7-21(8-9-22-12-14(20)4-5-19(22)23)16-11-18(25-3)17(24-2)10-15(13)16/h4-14,16-17H,15,18H2,1-3H3;2-12,15-16H,13-14H2,1H3,(H,26,29);2,4-6,8-9,12-13,16,26H,3,7,10-11,14H2,1H3;2-6,8,12-13,18,25H,7,9-11H2,1H3;4-7,10-12H,1,8-9H2,2-3H3/t;;16-;18-;/m..10./s1
InChIKeyTYLKNALMHWJNIL-JGLAXAICSA-N
XLogP15.61
TPSA384.35 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.10
LogP ≤ 515.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one (CID 161021634) is 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one is C=C1C=CN(CCn2cc(Br)ccc2=O)c2cc(OC)c(OC)cc21.COc1ccc2c(OCC(C)(C)n3cc(CC(=O)c4ccccc4)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4C(=O)CC[C@@H]4CO)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(N4CC[C@H](O)C4=O)ccc3=O)ccnc2c1.COc1ccc2c(OCCn3cc(NC(=O)c4ccccc4)ccc3=O)ccnc2c1.
What is the InChIKey of 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one?
The InChIKey is TYLKNALMHWJNIL-JGLAXAICSA-N. The full InChI is InChI=1S/C27H26N2O4.C24H21N3O4.C22H23N3O5.C21H21N3O5.C19H19BrN2O3/c1-27(2,18-33-25-13-14-28-23-16-21(32-3)10-11-22(23)25)29-17-19(9-12-26(29)31)15-24(30)20-7-5-4-6-8-20;1-30-19-8-9-20-21(15-19)25-12-11-22(20)31-14-13-27-16-18(7-10-23(27)28)26-24(29)17-5-3-2-4-6-17;1-29-17-4-5-18-19(12-17)23-9-8-20(18)30-11-10-24-13-15(2-6-21(24)27)25-16(14-26)3-7-22(25)28;1-28-15-3-4-16-17(12-15)22-8-6-19(16)29-11-10-23-13-14(2-5-20(23)26)24-9-7-18(25)21(24)27;1-13-6-7-21(8-9-22-12-14(20)4-5-19(22)23)16-11-18(25-3)17(24-2)10-15(13)16/h4-14,16-17H,15,18H2,1-3H3;2-12,15-16H,13-14H2,1H3,(H,26,29);2,4-6,8-9,12-13,16,26H,3,7,10-11,14H2,1H3;2-6,8,12-13,18,25H,7,9-11H2,1H3;4-7,10-12H,1,8-9H2,2-3H3/t;;16-;18-;/m..10./s1.
What are the key properties of 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one?
5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one has a molecular weight of 2066.10 g/mol, XLogP of 15.61, 33 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(6,7-dimethoxy-4-methylidenequinolin-1-yl)ethyl]pyridin-2-one;5-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one;N-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]benzamide;1-[1-(7-methoxyquinolin-4-yl)oxy-2-methylpropan-2-yl]-5-phenacylpyridin-2-one is sourced from PubChem (CID 161021634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).