6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine

C18H23FN4O — CID 171359747

IUPAC6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCN(C[C@H]4CCOC4)CC3)c2c1
InChIInChI=1S/C18H23FN4O/c19-14-1-2-17-16(9-14)18(21-12-20-17)22-15-3-6-23(7-4-15)10-13-5-8-24-11-13/h1-2,9,12-13,15H,3-8,10-11H2,(H,20,21,22)/t13-/m1/s1
InChIKeyHWWGLUGKMFDSGJ-CYBMUJFWSA-N
MW330.41 g/mol
LogP2.68
Rot. Bonds4

About 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine

6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine (PubChem CID 171359747) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
PubChem CID171359747
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCN(C[C@H]4CCOC4)CC3)c2c1
InChIInChI=1S/C18H23FN4O/c19-14-1-2-17-16(9-14)18(21-12-20-17)22-15-3-6-23(7-4-15)10-13-5-8-24-11-13/h1-2,9,12-13,15H,3-8,10-11H2,(H,20,21,22)/t13-/m1/s1
InChIKeyHWWGLUGKMFDSGJ-CYBMUJFWSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine (CID 171359747) is 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine is Fc1ccc2ncnc(NC3CCN(C[C@H]4CCOC4)CC3)c2c1.
What is the InChIKey of 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine?
The InChIKey is HWWGLUGKMFDSGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-14-1-2-17-16(9-14)18(21-12-20-17)22-15-3-6-23(7-4-15)10-13-5-8-24-11-13/h1-2,9,12-13,15H,3-8,10-11H2,(H,20,21,22)/t13-/m1/s1.
What are the key properties of 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine?
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine is sourced from PubChem (CID 171359747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).