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

C27H34N4O2 — CID 118617810

IUPAC2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C27H34N4O2/c1-27(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/h4-9,18-19,32H,10-17H2,1-3H3
InChIKeyTVMPWGASZCIMMZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.50
Rot. Bonds7

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

2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118617810) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
PubChem CID118617810
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C27H34N4O2/c1-27(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/h4-9,18-19,32H,10-17H2,1-3H3
InChIKeyTVMPWGASZCIMMZ-UHFFFAOYSA-N
XLogP4.50
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.50
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-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol (CID 118617810) is 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is TVMPWGASZCIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-27(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/h4-9,18-19,32H,10-17H2,1-3H3.
What are the key properties of 2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol?
2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 446.60 g/mol, XLogP of 4.50, 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-methylcyclopropyl)quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118617810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).