2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol

C28H36N4O2 — CID 118617724

IUPAC2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-28(13-6-14-28)27-29-24-10-9-21(31(2)17-18-33)19-23(24)26(30-27)32-15-11-20(12-16-32)22-7-4-5-8-25(22)34-3/h4-5,7-10,19-20,33H,6,11-18H2,1-3H3
InChIKeyIYXHEPYZZHBMIL-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.89
Rot. Bonds7

About 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol

2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118617724) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol
PubChem CID118617724
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-28(13-6-14-28)27-29-24-10-9-21(31(2)17-18-33)19-23(24)26(30-27)32-15-11-20(12-16-32)22-7-4-5-8-25(22)34-3/h4-5,7-10,19-20,33H,6,11-18H2,1-3H3
InChIKeyIYXHEPYZZHBMIL-UHFFFAOYSA-N
XLogP4.89
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol (CID 118617724) is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is IYXHEPYZZHBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-28(13-6-14-28)27-29-24-10-9-21(31(2)17-18-33)19-23(24)26(30-27)32-15-11-20(12-16-32)22-7-4-5-8-25(22)34-3/h4-5,7-10,19-20,33H,6,11-18H2,1-3H3.
What are the key properties of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol?
2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 460.62 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclobutyl)quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118617724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).