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

C84H110ClN11O5 — CID 157172796

IUPAC6-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
SMILESCCCCc1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1.Cl
InChIInChI=1S/C28H36N4O.C28H35N3O.C27H34N4O2.CH4O.ClH/c1-5-14-31(3)22-17-19(2)26-24(18-22)28(30-27(29-26)21-10-11-21)32-15-12-20(13-16-32)23-8-6-7-9-25(23)33-4;1-4-5-8-20-17-19(2)26-24(18-20)28(30-27(29-26)22-11-12-22)31-15-13-21(14-16-31)23-9-6-7-10-25(23)32-3;1-18-16-21(30(2)14-15-32)17-23-25(18)28-26(20-8-9-20)29-27(23)31-12-10-19(11-13-31)22-6-4-5-7-24(22)33-3;1-2;/h6-9,17-18,20-21H,5,10-16H2,1-4H3;6-7,9-10,17-18,21-22H,4-5,8,11-16H2,1-3H3;4-7,16-17,19-20,32H,8-15H2,1-3H3;2H,1H3;1H
InChIKeyWITSYFLBAVJTFX-UHFFFAOYSA-N
MW1389.33 g/mol
LogP17.27
Rot. Bonds21

About 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

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 (PubChem CID 157172796) has the molecular formula C84H110ClN11O5 and a molecular weight of 1389.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157172796
Molecular FormulaC84H110ClN11O5
Molecular Weight1389.33 g/mol
Exact Mass1387.84
IUPAC Name6-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
SMILESCCCCc1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1.Cl
InChIInChI=1S/C28H36N4O.C28H35N3O.C27H34N4O2.CH4O.ClH/c1-5-14-31(3)22-17-19(2)26-24(18-22)28(30-27(29-26)21-10-11-21)32-15-12-20(13-16-32)23-8-6-7-9-25(23)33-4;1-4-5-8-20-17-19(2)26-24(18-20)28(30-27(29-26)22-11-12-22)31-15-13-21(14-16-31)23-9-6-7-10-25(23)32-3;1-18-16-21(30(2)14-15-32)17-23-25(18)28-26(20-8-9-20)29-27(23)31-12-10-19(11-13-31)22-6-4-5-7-24(22)33-3;1-2;/h6-9,17-18,20-21H,5,10-16H2,1-4H3;6-7,9-10,17-18,21-22H,4-5,8,11-16H2,1-3H3;4-7,16-17,19-20,32H,8-15H2,1-3H3;2H,1H3;1H
InChIKeyWITSYFLBAVJTFX-UHFFFAOYSA-N
XLogP17.27
TPSA161.69 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.33
LogP ≤ 517.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
CID 90236942
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
CID 90237040
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 90237332
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 174
CID 118610260
US10118902, Example 18
CID 118610314
US10118902, Example 125
CID 118610338
US10118902, Example 47
CID 118610411
US10118902, Example 59
CID 118610423
US10118902, Example 133
CID 118610426

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CCCN(C)c1cc(C)c2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1.Cl.
What is the InChIKey of 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?
The InChIKey is WITSYFLBAVJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O.C28H35N3O.C27H34N4O2.CH4O.ClH/c1-5-14-31(3)22-17-19(2)26-24(18-22)28(30-27(29-26)21-10-11-21)32-15-12-20(13-16-32)23-8-6-7-9-25(23)33-4;1-4-5-8-20-17-19(2)26-24(18-20)28(30-27(29-26)22-11-12-22)31-15-13-21(14-16-31)23-9-6-7-10-25(23)32-3;1-18-16-21(30(2)14-15-32)17-23-25(18)28-26(20-8-9-20)29-27(23)31-12-10-19(11-13-31)22-6-4-5-7-24(22)33-3;1-2;/h6-9,17-18,20-21H,5,10-16H2,1-4H3;6-7,9-10,17-18,21-22H,4-5,8,11-16H2,1-3H3;4-7,16-17,19-20,32H,8-15H2,1-3H3;2H,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 1389.33 g/mol, XLogP of 17.27, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157172796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).