2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C24H20N6O4 — CID 71181238

IUPAC2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC3CNC(=O)O3)cc12
InChIInChI=1S/C24H20N6O4/c25-21(31)17-5-1-2-6-19(17)29-23-18-10-15(33-13-16-12-27-24(32)34-16)7-8-20(18)28-22(30-23)14-4-3-9-26-11-14/h1-11,16H,12-13H2,(H2,25,31)(H,27,32)(H,28,29,30)
InChIKeyRPCXTGYDJTVYFT-UHFFFAOYSA-N
MW456.46 g/mol
LogP3.02
Rot. Bonds7

About 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71181238) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71181238
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC3CNC(=O)O3)cc12
InChIInChI=1S/C24H20N6O4/c25-21(31)17-5-1-2-6-19(17)29-23-18-10-15(33-13-16-12-27-24(32)34-16)7-8-20(18)28-22(30-23)14-4-3-9-26-11-14/h1-11,16H,12-13H2,(H2,25,31)(H,27,32)(H,28,29,30)
InChIKeyRPCXTGYDJTVYFT-UHFFFAOYSA-N
XLogP3.02
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71181238) is 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC3CNC(=O)O3)cc12.
What is the InChIKey of 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is RPCXTGYDJTVYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c25-21(31)17-5-1-2-6-19(17)29-23-18-10-15(33-13-16-12-27-24(32)34-16)7-8-20(18)28-22(30-23)14-4-3-9-26-11-14/h1-11,16H,12-13H2,(H2,25,31)(H,27,32)(H,28,29,30).
What are the key properties of 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 456.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71181238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).