2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol

C26H31FN4O2 — CID 118617599

IUPAC2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1
InChIInChI=1S/C26H31FN4O2/c1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2/h3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3
InChIKeyUGXUKAATVWVURM-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.47
Rot. Bonds7

About 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol

2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118617599) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID118617599
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1
InChIInChI=1S/C26H31FN4O2/c1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2/h3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3
InChIKeyUGXUKAATVWVURM-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-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (CID 118617599) is 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1.
What is the InChIKey of 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is UGXUKAATVWVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-30(15-16-32)21-10-9-20-23(24(21)27)26(29-25(28-20)18-7-8-18)31-13-11-17(12-14-31)19-5-3-4-6-22(19)33-2/h3-6,9-10,17-18,32H,7-8,11-16H2,1-2H3.
What are the key properties of 2-[[2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
2-[[2-cyclopropyl-5-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-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118617599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).