[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol

C28H33FN4O2 — CID 144986208

IUPAC[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CCC(CO)C4)cc23)CC1
InChIInChI=1S/C28H33FN4O2/c1-35-25-5-3-2-4-22(25)20-9-14-32(15-10-20)26-23-16-21(33-13-8-19(17-33)18-34)6-7-24(23)30-27(31-26)28(29)11-12-28/h2-7,16,19-20,34H,8-15,17-18H2,1H3
InChIKeyGNWXFNIIDPXNJV-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.80
Rot. Bonds6

About [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol

[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol (PubChem CID 144986208) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
PubChem CID144986208
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Name[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol
SMILESCOc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CCC(CO)C4)cc23)CC1
InChIInChI=1S/C28H33FN4O2/c1-35-25-5-3-2-4-22(25)20-9-14-32(15-10-20)26-23-16-21(33-13-8-19(17-33)18-34)6-7-24(23)30-27(31-26)28(29)11-12-28/h2-7,16,19-20,34H,8-15,17-18H2,1H3
InChIKeyGNWXFNIIDPXNJV-UHFFFAOYSA-N
XLogP4.80
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 130339637
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]methylamino]ethanol
CID 118610453
(3S)-1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617781
2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
CID 144986231
(3R)-1-[8-chloro-2-(1-fluorocyclobutyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-ol
CID 118617808
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
(3R)-1-[8-chloro-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(1-methylcyclopropyl)quinazolin-6-yl]pyrrolidin-3-ol
CID 158340237
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
ethane;ethyl 2-[[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]-methylamino]acetate
CID 144986131
1-[6-(4-aminobutan-2-yl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-2-yl]-N-methyl-N-propylcyclopropan-1-amine
CID 118610454
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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol (CID 144986208) is [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol is COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N4CCC(CO)C4)cc23)CC1.
What is the InChIKey of [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol?
The InChIKey is GNWXFNIIDPXNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-35-25-5-3-2-4-22(25)20-9-14-32(15-10-20)26-23-16-21(33-13-8-19(17-33)18-34)6-7-24(23)30-27(31-26)28(29)11-12-28/h2-7,16,19-20,34H,8-15,17-18H2,1H3.
What are the key properties of [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol?
[1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol has a molecular weight of 476.60 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 144986208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).