2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide

C23H19F2N5O2 — CID 71179924

IUPAC2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C23H19F2N5O2/c1-26-19(31)12-28-23-16-9-14(15-6-3-7-17(24)20(15)25)10-18(32-2)21(16)29-22(30-23)13-5-4-8-27-11-13/h3-11H,12H2,1-2H3,(H,26,31)(H,28,29,30)
InChIKeyASWADWBUMFSDIG-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.80
Rot. Bonds6

About 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide

2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide (PubChem CID 71179924) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide
PubChem CID71179924
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C23H19F2N5O2/c1-26-19(31)12-28-23-16-9-14(15-6-3-7-17(24)20(15)25)10-18(32-2)21(16)29-22(30-23)13-5-4-8-27-11-13/h3-11H,12H2,1-2H3,(H,26,31)(H,28,29,30)
InChIKeyASWADWBUMFSDIG-UHFFFAOYSA-N
XLogP3.80
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide (CID 71179924) is 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide is CNC(=O)CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide?
The InChIKey is ASWADWBUMFSDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-26-19(31)12-28-23-16-9-14(15-6-3-7-17(24)20(15)25)10-18(32-2)21(16)29-22(30-23)13-5-4-8-27-11-13/h3-11H,12H2,1-2H3,(H,26,31)(H,28,29,30).
What are the key properties of 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide?
2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide has a molecular weight of 435.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazolin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 71179924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).