2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide

C25H20F2N4O4 — CID 137005241

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C25H20F2N4O4/c1-13-4-9-20(30-21(13)14-5-7-16-17(10-14)28-12-29-22(16)32)31-23(33)24(2,3)15-6-8-18-19(11-15)35-25(26,27)34-18/h4-12H,1-3H3,(H,28,29,32)(H,30,31,33)
InChIKeyZWIRBPJAHXSCQW-UHFFFAOYSA-N
MW478.46 g/mol
LogP4.53
Rot. Bonds4

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide (PubChem CID 137005241) has the molecular formula C25H20F2N4O4 and a molecular weight of 478.46 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide
PubChem CID137005241
Molecular FormulaC25H20F2N4O4
Molecular Weight478.46 g/mol
Exact Mass478.15
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C25H20F2N4O4/c1-13-4-9-20(30-21(13)14-5-7-16-17(10-14)28-12-29-22(16)32)31-23(33)24(2,3)15-6-8-18-19(11-15)35-25(26,27)34-18/h4-12H,1-3H3,(H,28,29,32)(H,30,31,33)
InChIKeyZWIRBPJAHXSCQW-UHFFFAOYSA-N
XLogP4.53
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]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 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide (CID 137005241) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide is Cc1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OC(F)(F)O3)nc1-c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide?
The InChIKey is ZWIRBPJAHXSCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O4/c1-13-4-9-20(30-21(13)14-5-7-16-17(10-14)28-12-29-22(16)32)31-23(33)24(2,3)15-6-8-18-19(11-15)35-25(26,27)34-18/h4-12H,1-3H3,(H,28,29,32)(H,30,31,33).
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide has a molecular weight of 478.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 137005241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).