3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

C64H64BBrN8O6 — CID 163864633

IUPAC3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
SMILESCOc1ccc(COc2nccc(C)c2-c2ccc3nc(Nc4cccc(C)c4)ncc3c2)cc1.COc1ccc(COc2nccc(C)c2Br)cc1.Cc1cccc(Nc2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1
InChIInChI=1S/C29H26N4O2.C21H24BN3O2.C14H14BrNO2/c1-19-5-4-6-24(15-19)32-29-31-17-23-16-22(9-12-26(23)33-29)27-20(2)13-14-30-28(27)35-18-21-7-10-25(34-3)11-8-21;1-14-7-6-8-17(11-14)24-19-23-13-15-12-16(9-10-18(15)25-19)22-26-20(2,3)21(4,5)27-22;1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h4-17H,18H2,1-3H3,(H,31,32,33);6-13H,1-5H3,(H,23,24,25);3-8H,9H2,1-2H3
InChIKeyPFPDRASIUGQCHP-UHFFFAOYSA-N
MW1131.98 g/mol
LogP14.36
Rot. Bonds14

About 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (PubChem CID 163864633) has the molecular formula C64H64BBrN8O6 and a molecular weight of 1131.98 g/mol. Its IUPAC name is 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
PubChem CID163864633
Molecular FormulaC64H64BBrN8O6
Molecular Weight1131.98 g/mol
Exact Mass1130.42
IUPAC Name3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
SMILESCOc1ccc(COc2nccc(C)c2-c2ccc3nc(Nc4cccc(C)c4)ncc3c2)cc1.COc1ccc(COc2nccc(C)c2Br)cc1.Cc1cccc(Nc2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1
InChIInChI=1S/C29H26N4O2.C21H24BN3O2.C14H14BrNO2/c1-19-5-4-6-24(15-19)32-29-31-17-23-16-22(9-12-26(23)33-29)27-20(2)13-14-30-28(27)35-18-21-7-10-25(34-3)11-8-21;1-14-7-6-8-17(11-14)24-19-23-13-15-12-16(9-10-18(15)25-19)22-26-20(2,3)21(4,5)27-22;1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h4-17H,18H2,1-3H3,(H,31,32,33);6-13H,1-5H3,(H,23,24,25);3-8H,9H2,1-2H3
InChIKeyPFPDRASIUGQCHP-UHFFFAOYSA-N
XLogP14.36
TPSA156.78 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.98
LogP ≤ 514.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine with MolForge

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Related Compounds

N-[2-[3-bromo-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-5,8-difluoroquinazolin-4-amine;N-[2-[3-ethenyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-5,8-difluoroquinazolin-4-amine
CID 158706816
6-(2-(4-Methoxybenzyloxy)-4-methylpyridin-3-yl)quinazolin-2-amine
CID 66999954
4-N-(3-bromophenyl)-6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]quinazoline-2,4-diamine
CID 69013791
4-N-(3-bromophenyl)-6-(6-phenylmethoxy-3-pyridinyl)quinazoline-2,4-diamine
CID 69014069
4-N-(3-bromophenyl)-6-(2-ethoxy-3-pyridinyl)quinazoline-2,4-diamine
CID 69014707
4-N-(3-bromophenyl)-6-(6-ethoxy-3-pyridinyl)quinazoline-2,4-diamine
CID 69017183
6-[2-[3-Methyl-5-[(3-methylphenyl)methoxy]phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-phenylmethoxyphenyl)-3-pyridinyl]quinazolin-4-amine
CID 144943611
6-Bromo-8-methoxyquinazoline;8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline;2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157297207
N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[4-(difluoromethoxy)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157840692
N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[5-[3-(difluoromethoxy)phenyl]-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-[3-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157960949
8-(3-aminophenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;8-bromo-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 157993253
6-Bromo-8-methoxyquinazoline;methane;8-methoxy-6-(6-phenoxy-3-pyridinyl)quinazoline;2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 159487522

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?
The IUPAC name of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (CID 163864633) is 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine.
What is the SMILES notation for 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?
The canonical SMILES for 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine is COc1ccc(COc2nccc(C)c2-c2ccc3nc(Nc4cccc(C)c4)ncc3c2)cc1.COc1ccc(COc2nccc(C)c2Br)cc1.Cc1cccc(Nc2ncc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)c1.
What is the InChIKey of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?
The InChIKey is PFPDRASIUGQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.C21H24BN3O2.C14H14BrNO2/c1-19-5-4-6-24(15-19)32-29-31-17-23-16-22(9-12-26(23)33-29)27-20(2)13-14-30-28(27)35-18-21-7-10-25(34-3)11-8-21;1-14-7-6-8-17(11-14)24-19-23-13-15-12-16(9-10-18(15)25-19)22-26-20(2,3)21(4,5)27-22;1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h4-17H,18H2,1-3H3,(H,31,32,33);6-13H,1-5H3,(H,23,24,25);3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine has a molecular weight of 1131.98 g/mol, XLogP of 14.36, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine;6-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-pyridinyl]-N-(3-methylphenyl)quinazolin-2-amine;N-(3-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine is sourced from PubChem (CID 163864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).