2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C23H20N6O3 — CID 67298170

IUPAC2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESCNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C23H20N6O3/c1-25-20(30)13-32-15-8-9-19-17(11-15)23(28-18-7-3-2-6-16(18)21(24)31)29-22(27-19)14-5-4-10-26-12-14/h2-12H,13H2,1H3,(H2,24,31)(H,25,30)(H,27,28,29)
InChIKeyOCTRCBXOYJIXNV-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.66
Rot. Bonds7

About 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 67298170) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID67298170
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESCNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C23H20N6O3/c1-25-20(30)13-32-15-8-9-19-17(11-15)23(28-18-7-3-2-6-16(18)21(24)31)29-22(27-19)14-5-4-10-26-12-14/h2-12H,13H2,1H3,(H2,24,31)(H,25,30)(H,27,28,29)
InChIKeyOCTRCBXOYJIXNV-UHFFFAOYSA-N
XLogP2.66
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 67298170) is 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is CNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is OCTRCBXOYJIXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-25-20(30)13-32-15-8-9-19-17(11-15)23(28-18-7-3-2-6-16(18)21(24)31)29-22(27-19)14-5-4-10-26-12-14/h2-12H,13H2,1H3,(H2,24,31)(H,25,30)(H,27,28,29).
What are the key properties of 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 428.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 67298170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).