2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol

C25H31FN6O2 — CID 118610354

IUPAC2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1nccnc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C25H31FN6O2/c1-31(14-15-33)18-4-5-20-19(16-18)22(30-24(29-20)25(26)8-3-9-25)32-12-6-17(7-13-32)21-23(34-2)28-11-10-27-21/h4-5,10-11,16-17,33H,3,6-9,12-15H2,1-2H3
InChIKeyPTGZYCCNOLGXNW-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.59
Rot. Bonds7

About 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol

2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 118610354) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
PubChem CID118610354
Molecular FormulaC25H31FN6O2
Molecular Weight466.56 g/mol
Exact Mass466.25
IUPAC Name2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
SMILESCOc1nccnc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1
InChIInChI=1S/C25H31FN6O2/c1-31(14-15-33)18-4-5-20-19(16-18)22(30-24(29-20)25(26)8-3-9-25)32-12-6-17(7-13-32)21-23(34-2)28-11-10-27-21/h4-5,10-11,16-17,33H,3,6-9,12-15H2,1-2H3
InChIKeyPTGZYCCNOLGXNW-UHFFFAOYSA-N
XLogP3.59
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 159602989
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
CID 130352366
2-[[2-cyclopropyl-4-[4-(4-fluoro-2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610435
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
CID 157236988
2-[[2-(1-fluorocyclopropyl)-4-[4-(5-methoxy-2,3,4,5-tetrahydropyridin-4-yl)-2H-pyridin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 137423310
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methylamino]ethanol
CID 118610453
(3R)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 130339637
2-bromo-3-methoxypyridine;tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]quinazolin-6-yl]-methylamino]ethanol;1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 159937687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (CID 118610354) is 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is COc1nccnc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1.
What is the InChIKey of 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
The InChIKey is PTGZYCCNOLGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-31(14-15-33)18-4-5-20-19(16-18)22(30-24(29-20)25(26)8-3-9-25)32-12-6-17(7-13-32)21-23(34-2)28-11-10-27-21/h4-5,10-11,16-17,33H,3,6-9,12-15H2,1-2H3.
What are the key properties of 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol?
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol has a molecular weight of 466.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol is sourced from PubChem (CID 118610354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).