6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline

C19H20FN5O — CID 166605531

IUPAC6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1cc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)ccn1
InChIInChI=1S/C19H20FN5O/c1-26-18-10-14(4-5-21-18)12-24-6-8-25(9-7-24)19-16-11-15(20)2-3-17(16)22-13-23-19/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyXMDJNIHYIXEEES-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.49
Rot. Bonds4

About 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline

6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline (PubChem CID 166605531) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
PubChem CID166605531
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1cc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)ccn1
InChIInChI=1S/C19H20FN5O/c1-26-18-10-14(4-5-21-18)12-24-6-8-25(9-7-24)19-16-11-15(20)2-3-17(16)22-13-23-19/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyXMDJNIHYIXEEES-UHFFFAOYSA-N
XLogP2.49
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline (CID 166605531) is 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline is COc1cc(CN2CCN(c3ncnc4ccc(F)cc34)CC2)ccn1.
What is the InChIKey of 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is XMDJNIHYIXEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-26-18-10-14(4-5-21-18)12-24-6-8-25(9-7-24)19-16-11-15(20)2-3-17(16)22-13-23-19/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline?
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 353.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 166605531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).