6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine

C112H146BrN15O6Si — CID 162062816

IUPAC6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine
SMILESC.CCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(NCCO[Si](C)(C)C(C)(C)C)cc23)CC1
InChIInChI=1S/C32H46N4O2Si.C28H36N4O.C27H34N4O2.C24H26BrN3O.CH4/c1-31(2,3)39(6,7)38-21-18-33-24-12-13-27-26(22-24)29(35-30(34-27)32(4)16-17-32)36-19-14-23(15-20-36)25-10-8-9-11-28(25)37-5;1-5-16-31(3)21-10-11-24-23(19-21)26(30-27(29-24)28(2)14-15-28)32-17-12-20(13-18-32)22-8-6-7-9-25(22)33-4;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-24(11-12-24)23-26-20-8-7-17(25)15-19(20)22(27-23)28-13-9-16(10-14-28)18-5-3-4-6-21(18)29-2;/h8-13,22-23,33H,14-21H2,1-7H3;6-11,19-20H,5,12-18H2,1-4H3;4-9,18-19,32H,10-17H2,1-3H3;3-8,15-16H,9-14H2,1-2H3;1H4
InChIKeyZABKCSLGAKDJQQ-UHFFFAOYSA-N
MW1906.49 g/mol
LogP24.40
Rot. Bonds27

About 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine

6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine (PubChem CID 162062816) has the molecular formula C112H146BrN15O6Si and a molecular weight of 1906.49 g/mol. Its IUPAC name is 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine.

Molecular Properties

Compound Name6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine
PubChem CID162062816
Molecular FormulaC112H146BrN15O6Si
Molecular Weight1906.49 g/mol
Exact Mass1904.05
IUPAC Name6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine
SMILESC.CCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(NCCO[Si](C)(C)C(C)(C)C)cc23)CC1
InChIInChI=1S/C32H46N4O2Si.C28H36N4O.C27H34N4O2.C24H26BrN3O.CH4/c1-31(2,3)39(6,7)38-21-18-33-24-12-13-27-26(22-24)29(35-30(34-27)32(4)16-17-32)36-19-14-23(15-20-36)25-10-8-9-11-28(25)37-5;1-5-16-31(3)21-10-11-24-23(19-21)26(30-27(29-24)28(2)14-15-28)32-17-12-20(13-18-32)22-8-6-7-9-25(22)33-4;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-24(11-12-24)23-26-20-8-7-17(25)15-19(20)22(27-23)28-13-9-16(10-14-28)18-5-3-4-6-21(18)29-2;/h8-13,22-23,33H,14-21H2,1-7H3;6-11,19-20H,5,12-18H2,1-4H3;4-9,18-19,32H,10-17H2,1-3H3;3-8,15-16H,9-14H2,1-2H3;1H4
InChIKeyZABKCSLGAKDJQQ-UHFFFAOYSA-N
XLogP24.40
TPSA200.97 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.49
LogP ≤ 524.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine with MolForge

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Related Compounds

4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine
CID 161385602
2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol
CID 161780425
2-butan-2-yl-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]quinazolin-6-yl]-methylamino]ethanol
CID 162064640
N,N'-bis[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-1-methoxy-N-methylpropane-1,3-diamine
CID 90241275
N,N'-bis[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-1-methoxy-N,N'-dimethylethane-1,2-diamine
CID 90241276
2-[[4-[4-[2-Methoxy-4-[2-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-[methyl(propyl)amino]quinazolin-2-yl]-2-[methyl(propyl)amino]cyclopropyl]phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
CID 130356477
2-(1-fluorocyclopropyl)-N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 144986103
ethane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
CID 144986174
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine
CID 145770533
sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine
CID 157163740
6-butyl-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazoline;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,8-dimethyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol;methanol;hydrochloride
CID 157172796
6-butyl-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol;methane;methanol;hydrochloride
CID 157227878

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine?
The IUPAC name of 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine (CID 162062816) is 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine.
What is the SMILES notation for 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine?
The canonical SMILES for 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine is C.CCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(NCCO[Si](C)(C)C(C)(C)C)cc23)CC1.
What is the InChIKey of 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine?
The InChIKey is ZABKCSLGAKDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O2Si.C28H36N4O.C27H34N4O2.C24H26BrN3O.CH4/c1-31(2,3)39(6,7)38-21-18-33-24-12-13-27-26(22-24)29(35-30(34-27)32(4)16-17-32)36-19-14-23(15-20-36)25-10-8-9-11-28(25)37-5;1-5-16-31(3)21-10-11-24-23(19-21)26(30-27(29-24)28(2)14-15-28)32-17-12-20(13-18-32)22-8-6-7-9-25(22)33-4;1-27(12-13-27)26-28-23-9-8-20(30(2)16-17-32)18-22(23)25(29-26)31-14-10-19(11-15-31)21-6-4-5-7-24(21)33-3;1-24(11-12-24)23-26-20-8-7-17(25)15-19(20)22(27-23)28-13-9-16(10-14-28)18-5-3-4-6-21(18)29-2;/h8-13,22-23,33H,14-21H2,1-7H3;6-11,19-20H,5,12-18H2,1-4H3;4-9,18-19,32H,10-17H2,1-3H3;3-8,15-16H,9-14H2,1-2H3;1H4.
What are the key properties of 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine?
6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine has a molecular weight of 1906.49 g/mol, XLogP of 24.40, 27 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazoline;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-amine;methane;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-propylquinazolin-6-amine is sourced from PubChem (CID 162062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).