2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol

C117H132N16O6 — CID 159983851

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
SMILESC=C/C=C(\C=C)c1nc(N2CCC(c3ccccc3OC)CC2)c2cc(N(C)C)ccc2n1.CCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C30H34N4O2.C30H34N4O.C29H32N4O2.C28H32N4O/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-4-18-33(2)24-14-15-27-26(21-24)30(32-29(31-27)23-10-6-5-7-11-23)34-19-16-22(17-20-34)25-12-8-9-13-28(25)35-3;1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2;1-6-10-20(7-2)27-29-25-14-13-22(31(3)4)19-24(25)28(30-27)32-17-15-21(16-18-32)23-11-8-9-12-26(23)33-5/h4-14,21-22H,15-20H2,1-3H3;5-15,21-22H,4,16-20H2,1-3H3;3-13,20-21,34H,14-19H2,1-2H3;6-14,19,21H,1-2,15-18H2,3-5H3/b;;;20-10+
InChIKeyOGBTWHXHVMSIOT-VLRPLEGUSA-N
MW1858.45 g/mol
LogP23.27
Rot. Bonds29

About 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol (PubChem CID 159983851) has the molecular formula C117H132N16O6 and a molecular weight of 1858.45 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
PubChem CID159983851
Molecular FormulaC117H132N16O6
Molecular Weight1858.45 g/mol
Exact Mass1857.05
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol
SMILESC=C/C=C(\C=C)c1nc(N2CCC(c3ccccc3OC)CC2)c2cc(N(C)C)ccc2n1.CCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C30H34N4O2.C30H34N4O.C29H32N4O2.C28H32N4O/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-4-18-33(2)24-14-15-27-26(21-24)30(32-29(31-27)23-10-6-5-7-11-23)34-19-16-22(17-20-34)25-12-8-9-13-28(25)35-3;1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2;1-6-10-20(7-2)27-29-25-14-13-22(31(3)4)19-24(25)28(30-27)32-17-15-21(16-18-32)23-11-8-9-12-26(23)33-5/h4-14,21-22H,15-20H2,1-3H3;5-15,21-22H,4,16-20H2,1-3H3;3-13,20-21,34H,14-19H2,1-2H3;6-14,19,21H,1-2,15-18H2,3-5H3/b;;;20-10+
InChIKeyOGBTWHXHVMSIOT-VLRPLEGUSA-N
XLogP23.27
TPSA195.42 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.45
LogP ≤ 523.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol with MolForge

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Related Compounds

ethane;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine
CID 144986130
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
2-butan-2-yl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617784
2-[1-(dimethylamino)cyclopropyl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-(2-methoxyethyl)-N-methyl-2-(1-methylcyclopropyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol;N'-[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-N,N,N'-trimethylethane-1,2-diamine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-(1-methylcyclopropyl)-N-(2-pyrrolidin-1-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-[1-[methyl(propyl)amino]cyclopropyl]-N-propylquinazolin-6-amine
CID 162266622
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetaldehyde
CID 144986141
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
CID 157236988
2-[[2-(4-fluorobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]acetic acid
CID 163927970
2-[[2-cyclopropyl-4-[(3R)-3-(2-methoxyanilino)pyrrolidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617972

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol (CID 159983851) is 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol is C=C/C=C(\C=C)c1nc(N2CCC(c3ccccc3OC)CC2)c2cc(N(C)C)ccc2n1.CCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COCCN(C)c1ccc2nc(-c3ccccc3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
The InChIKey is OGBTWHXHVMSIOT-VLRPLEGUSA-N. The full InChI is InChI=1S/C30H34N4O2.C30H34N4O.C29H32N4O2.C28H32N4O/c1-33(19-20-35-2)24-13-14-27-26(21-24)30(32-29(31-27)23-9-5-4-6-10-23)34-17-15-22(16-18-34)25-11-7-8-12-28(25)36-3;1-4-18-33(2)24-14-15-27-26(21-24)30(32-29(31-27)23-10-6-5-7-11-23)34-19-16-22(17-20-34)25-12-8-9-13-28(25)35-3;1-32(18-19-34)23-12-13-26-25(20-23)29(31-28(30-26)22-8-4-3-5-9-22)33-16-14-21(15-17-33)24-10-6-7-11-27(24)35-2;1-6-10-20(7-2)27-29-25-14-13-22(31(3)4)19-24(25)28(30-27)32-17-15-21(16-18-32)23-11-8-9-12-26(23)33-5/h4-14,21-22H,15-20H2,1-3H3;5-15,21-22H,4,16-20H2,1-3H3;3-13,20-21,34H,14-19H2,1-2H3;6-14,19,21H,1-2,15-18H2,3-5H3/b;;;20-10+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol?
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol has a molecular weight of 1858.45 g/mol, XLogP of 23.27, 29 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine;N-(2-methoxyethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenylquinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-2-phenyl-N-propylquinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylquinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 159983851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).