2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol

C27H34N4O2 — CID 118610338

IUPAC2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1
InChIInChI=1S/C27H34N4O2/c1-18-16-21(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/h4-7,16-17,19-20,32H,8-15H2,1-3H3
InChIKeyKJRIJBVRTOLCQH-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.64
Rot. Bonds7

About 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol

2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol (PubChem CID 118610338) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol
PubChem CID118610338
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1
InChIInChI=1S/C27H34N4O2/c1-18-16-21(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/h4-7,16-17,19-20,32H,8-15H2,1-3H3
InChIKeyKJRIJBVRTOLCQH-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol (CID 118610338) is 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol?
The InChIKey is KJRIJBVRTOLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18-16-21(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/h4-7,16-17,19-20,32H,8-15H2,1-3H3.
What are the key properties of 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol?
2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol has a molecular weight of 446.60 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-8-methylquinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118610338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).