1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one

C25H20F2N4O2 — CID 161458664

IUPAC1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
SMILESCOc1cc(-c2cc(F)ccc2F)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H20F2N4O2/c1-33-22-11-16(19-12-17(26)6-7-21(19)27)10-20-23(22)29-24(15-4-2-8-28-13-15)30-25(20)31-9-3-5-18(32)14-31/h2,4,6-8,10-13H,3,5,9,14H2,1H3
InChIKeyWBMSSAIOHMNYAA-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.81
Rot. Bonds4

About 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one

1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one (PubChem CID 161458664) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
PubChem CID161458664
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one
SMILESCOc1cc(-c2cc(F)ccc2F)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12
InChIInChI=1S/C25H20F2N4O2/c1-33-22-11-16(19-12-17(26)6-7-21(19)27)10-20-23(22)29-24(15-4-2-8-28-13-15)30-25(20)31-9-3-5-18(32)14-31/h2,4,6-8,10-13H,3,5,9,14H2,1H3
InChIKeyWBMSSAIOHMNYAA-UHFFFAOYSA-N
XLogP4.81
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The IUPAC name of 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one (CID 161458664) is 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one.
What is the SMILES notation for 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The canonical SMILES for 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one is COc1cc(-c2cc(F)ccc2F)cc2c(N3CCCC(=O)C3)nc(-c3cccnc3)nc12.
What is the InChIKey of 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
The InChIKey is WBMSSAIOHMNYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c1-33-22-11-16(19-12-17(26)6-7-21(19)27)10-20-23(22)29-24(15-4-2-8-28-13-15)30-25(20)31-9-3-5-18(32)14-31/h2,4,6-8,10-13H,3,5,9,14H2,1H3.
What are the key properties of 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one?
1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one has a molecular weight of 446.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]piperidin-3-one is sourced from PubChem (CID 161458664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).