3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide

C27H35F2N5O2 — CID 58562565

IUPAC3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide
SMILESCC(F)(F)c1ccc2ncnc(CCC(=O)NC3CN(C4CCC(N5CCCCC5=O)CC4)C3)c2c1
InChIInChI=1S/C27H35F2N5O2/c1-27(28,29)18-5-10-23-22(14-18)24(31-17-30-23)11-12-25(35)32-19-15-33(16-19)20-6-8-21(9-7-20)34-13-3-2-4-26(34)36/h5,10,14,17,19-21H,2-4,6-9,11-13,15-16H2,1H3,(H,32,35)
InChIKeyKYGSPMMGDZDTME-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.80
Rot. Bonds7

About 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide

3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide (PubChem CID 58562565) has the molecular formula C27H35F2N5O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide
PubChem CID58562565
Molecular FormulaC27H35F2N5O2
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC Name3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide
SMILESCC(F)(F)c1ccc2ncnc(CCC(=O)NC3CN(C4CCC(N5CCCCC5=O)CC4)C3)c2c1
InChIInChI=1S/C27H35F2N5O2/c1-27(28,29)18-5-10-23-22(14-18)24(31-17-30-23)11-12-25(35)32-19-15-33(16-19)20-6-8-21(9-7-20)34-13-3-2-4-26(34)36/h5,10,14,17,19-21H,2-4,6-9,11-13,15-16H2,1H3,(H,32,35)
InChIKeyKYGSPMMGDZDTME-UHFFFAOYSA-N
XLogP3.80
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide?
The IUPAC name of 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide (CID 58562565) is 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide.
What is the SMILES notation for 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide?
The canonical SMILES for 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide is CC(F)(F)c1ccc2ncnc(CCC(=O)NC3CN(C4CCC(N5CCCCC5=O)CC4)C3)c2c1.
What is the InChIKey of 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide?
The InChIKey is KYGSPMMGDZDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N5O2/c1-27(28,29)18-5-10-23-22(14-18)24(31-17-30-23)11-12-25(35)32-19-15-33(16-19)20-6-8-21(9-7-20)34-13-3-2-4-26(34)36/h5,10,14,17,19-21H,2-4,6-9,11-13,15-16H2,1H3,(H,32,35).
What are the key properties of 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide?
3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide has a molecular weight of 499.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,1-difluoroethyl)quinazolin-4-yl]-N-[1-[4-(2-oxopiperidin-1-yl)cyclohexyl]azetidin-3-yl]propanamide is sourced from PubChem (CID 58562565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).