3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one

C90H90Br3N9O16 — CID 157335834

IUPAC3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one
SMILESCCO/C=C/C(=O)Cc1ccc(-c2c(C)noc2C)c(OC)c1.COc1cc(N)ccc1-c1c(C)noc1C.COc1cc(N)ccc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(Br)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(Br)c(=O)n2Cc1ccccn1
InChIInChI=1S/C21H18BrN3O3.C18H21NO4.C16H14BrNO3.C16H15NO3.C12H14N2O2.C7H8BrNO/c1-12-20(13(2)28-24-12)16-8-14-9-17(22)21(26)25(18(14)10-19(16)27-3)11-15-6-4-5-7-23-15;1-5-22-9-8-15(20)10-14-6-7-16(17(11-14)21-4)18-12(2)19-23-13(18)3;1-8-16(9(2)21-18-8)12-4-10-5-13(17)14(19)6-11(10)7-15(12)20-3;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-7-12(8(2)16-14-7)10-5-4-9(13)6-11(10)15-3;1-10-7-4-5(9)2-3-6(7)8/h4-10H,11H2,1-3H3;6-9,11H,5,10H2,1-4H3;4-5,7H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,13H2,1-3H3;2-4H,9H2,1H3/b;9-8+;;;;
InChIKeyBFVDJRKFGDZPRX-DVVOUOQMSA-N
MW1793.47 g/mol
LogP19.64
Rot. Bonds18

About 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one

3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one (PubChem CID 157335834) has the molecular formula C90H90Br3N9O16 and a molecular weight of 1793.47 g/mol. Its IUPAC name is 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one.

Molecular Properties

Compound Name3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one
PubChem CID157335834
Molecular FormulaC90H90Br3N9O16
Molecular Weight1793.47 g/mol
Exact Mass1789.41
IUPAC Name3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one
SMILESCCO/C=C/C(=O)Cc1ccc(-c2c(C)noc2C)c(OC)c1.COc1cc(N)ccc1-c1c(C)noc1C.COc1cc(N)ccc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(Br)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(Br)c(=O)n2Cc1ccccn1
InChIInChI=1S/C21H18BrN3O3.C18H21NO4.C16H14BrNO3.C16H15NO3.C12H14N2O2.C7H8BrNO/c1-12-20(13(2)28-24-12)16-8-14-9-17(22)21(26)25(18(14)10-19(16)27-3)11-15-6-4-5-7-23-15;1-5-22-9-8-15(20)10-14-6-7-16(17(11-14)21-4)18-12(2)19-23-13(18)3;1-8-16(9(2)21-18-8)12-4-10-5-13(17)14(19)6-11(10)7-15(12)20-3;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-7-12(8(2)16-14-7)10-5-4-9(13)6-11(10)15-3;1-10-7-4-5(9)2-3-6(7)8/h4-10H,11H2,1-3H3;6-9,11H,5,10H2,1-4H3;4-5,7H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,13H2,1-3H3;2-4H,9H2,1H3/b;9-8+;;;;
InChIKeyBFVDJRKFGDZPRX-DVVOUOQMSA-N
XLogP19.64
TPSA332.90 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.47
LogP ≤ 519.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-Bromo-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[hydroxy(diphenyl)methyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 157414485
3,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;3,6-dibromo-7-methoxy-1H-naphthalen-2-one;3,6-dibromo-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;7-methoxy-1H-naphthalen-2-one
CID 158788621
5-bromo-2-ethylpyridine;1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one
CID 159124904
1-[(5-Bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one;pyrrolidin-3-ol
CID 159182129
2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane
CID 162059071
6-Bromo-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one;(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one;hydroiodide
CID 165073081

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one?
The IUPAC name of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one (CID 157335834) is 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one.
What is the SMILES notation for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one?
The canonical SMILES for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one is CCO/C=C/C(=O)Cc1ccc(-c2c(C)noc2C)c(OC)c1.COc1cc(N)ccc1-c1c(C)noc1C.COc1cc(N)ccc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(Br)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)C=CC(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(Br)c(=O)n2Cc1ccccn1.
What is the InChIKey of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one?
The InChIKey is BFVDJRKFGDZPRX-DVVOUOQMSA-N. The full InChI is InChI=1S/C21H18BrN3O3.C18H21NO4.C16H14BrNO3.C16H15NO3.C12H14N2O2.C7H8BrNO/c1-12-20(13(2)28-24-12)16-8-14-9-17(22)21(26)25(18(14)10-19(16)27-3)11-15-6-4-5-7-23-15;1-5-22-9-8-15(20)10-14-6-7-16(17(11-14)21-4)18-12(2)19-23-13(18)3;1-8-16(9(2)21-18-8)12-4-10-5-13(17)14(19)6-11(10)7-15(12)20-3;1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3;1-7-12(8(2)16-14-7)10-5-4-9(13)6-11(10)15-3;1-10-7-4-5(9)2-3-6(7)8/h4-10H,11H2,1-3H3;6-9,11H,5,10H2,1-4H3;4-5,7H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-6H,13H2,1-3H3;2-4H,9H2,1H3/b;9-8+;;;;.
What are the key properties of 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one?
3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one has a molecular weight of 1793.47 g/mol, XLogP of 19.64, 18 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;4-bromo-3-methoxyaniline;4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyaniline;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;(E)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxyphenyl]-4-ethoxybut-3-en-2-one is sourced from PubChem (CID 157335834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).