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

C28H36N4O2 — CID 118610255

IUPAC2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-31(17-18-33)22-11-12-25-24(19-22)28(30-27(29-25)21-7-3-4-8-21)32-15-13-20(14-16-32)23-9-5-6-10-26(23)34-2/h5-6,9-12,19-21,33H,3-4,7-8,13-18H2,1-2H3
InChIKeySMTIKJXXHINZME-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.11
Rot. Bonds7

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

2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118610255) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID118610255
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-31(17-18-33)22-11-12-25-24(19-22)28(30-27(29-25)21-7-3-4-8-21)32-15-13-20(14-16-32)23-9-5-6-10-26(23)34-2/h5-6,9-12,19-21,33H,3-4,7-8,13-18H2,1-2H3
InChIKeySMTIKJXXHINZME-UHFFFAOYSA-N
XLogP5.11
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (CID 118610255) is 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is SMTIKJXXHINZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-31(17-18-33)22-11-12-25-24(19-22)28(30-27(29-25)21-7-3-4-8-21)32-15-13-20(14-16-32)23-9-5-6-10-26(23)34-2/h5-6,9-12,19-21,33H,3-4,7-8,13-18H2,1-2H3.
What are the key properties of 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 460.62 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118610255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).