6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline

C19H19FN4O — CID 127044078

IUPAC6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
SMILESCc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
InChIKeySMYUEWYXIKCMEA-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.52
Rot. Bonds3

About 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline

6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline (PubChem CID 127044078) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
PubChem CID127044078
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
SMILESCc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3
InChIKeySMYUEWYXIKCMEA-UHFFFAOYSA-N
XLogP3.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline (CID 127044078) is 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline is Cc1ccc(OC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1.
What is the InChIKey of 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline?
The InChIKey is SMYUEWYXIKCMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-2-4-16(11-21-13)25-15-6-8-24(9-7-15)19-17-10-14(20)3-5-18(17)22-12-23-19/h2-5,10-12,15H,6-9H2,1H3.
What are the key properties of 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline?
6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline has a molecular weight of 338.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline is sourced from PubChem (CID 127044078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).