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

C26H31FN4O2 — CID 118610426

IUPAC2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1
InChIInChI=1S/C26H31FN4O2/c1-30(13-14-32)19-15-21-24(22(27)16-19)28-25(18-7-8-18)29-26(21)31-11-9-17(10-12-31)20-5-3-4-6-23(20)33-2/h3-6,15-18,32H,7-14H2,1-2H3
InChIKeyHAYILJUSPUGKGI-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.47
Rot. Bonds7

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

2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118610426) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID118610426
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1
InChIInChI=1S/C26H31FN4O2/c1-30(13-14-32)19-15-21-24(22(27)16-19)28-25(18-7-8-18)29-26(21)31-11-9-17(10-12-31)20-5-3-4-6-23(20)33-2/h3-6,15-18,32H,7-14H2,1-2H3
InChIKeyHAYILJUSPUGKGI-UHFFFAOYSA-N
XLogP4.47
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (CID 118610426) is 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is HAYILJUSPUGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-30(13-14-32)19-15-21-24(22(27)16-19)28-25(18-7-8-18)29-26(21)31-11-9-17(10-12-31)20-5-3-4-6-23(20)33-2/h3-6,15-18,32H,7-14H2,1-2H3.
What are the key properties of 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 450.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-8-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118610426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).