6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione

C25H29F2N3O5 — CID 59587229

IUPAC6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCCNC3)c2=O)cc1OC
InChIInChI=1S/C25H29F2N3O5/c1-33-22-8-5-16(10-23(22)34-2)15-29-24(31)20-11-18(35-19(12-26)13-27)6-7-21(20)30(25(29)32)17-4-3-9-28-14-17/h5-8,10-11,17,19,28H,3-4,9,12-15H2,1-2H3
InChIKeyWEUSYANPVCZTPG-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.84
Rot. Bonds9

About 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione

6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione (PubChem CID 59587229) has the molecular formula C25H29F2N3O5 and a molecular weight of 489.52 g/mol. Its IUPAC name is 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione
PubChem CID59587229
Molecular FormulaC25H29F2N3O5
Molecular Weight489.52 g/mol
Exact Mass489.21
IUPAC Name6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCCNC3)c2=O)cc1OC
InChIInChI=1S/C25H29F2N3O5/c1-33-22-8-5-16(10-23(22)34-2)15-29-24(31)20-11-18(35-19(12-26)13-27)6-7-21(20)30(25(29)32)17-4-3-9-28-14-17/h5-8,10-11,17,19,28H,3-4,9,12-15H2,1-2H3
InChIKeyWEUSYANPVCZTPG-UHFFFAOYSA-N
XLogP2.84
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione?
The IUPAC name of 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione (CID 59587229) is 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione.
What is the SMILES notation for 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione?
The canonical SMILES for 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione is COc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCCNC3)c2=O)cc1OC.
What is the InChIKey of 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione?
The InChIKey is WEUSYANPVCZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O5/c1-33-22-8-5-16(10-23(22)34-2)15-29-24(31)20-11-18(35-19(12-26)13-27)6-7-21(20)30(25(29)32)17-4-3-9-28-14-17/h5-8,10-11,17,19,28H,3-4,9,12-15H2,1-2H3.
What are the key properties of 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione?
6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione has a molecular weight of 489.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione is sourced from PubChem (CID 59587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).