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

C20H15N5O2 — CID 67297950

IUPAC2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(O)cc12
InChIInChI=1S/C20H15N5O2/c21-18(27)14-5-1-2-6-16(14)24-20-15-10-13(26)7-8-17(15)23-19(25-20)12-4-3-9-22-11-12/h1-11,26H,(H2,21,27)(H,23,24,25)
InChIKeyDQQAJFYHUDUWAE-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.24
Rot. Bonds4

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

2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 67297950) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID67297950
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(O)cc12
InChIInChI=1S/C20H15N5O2/c21-18(27)14-5-1-2-6-16(14)24-20-15-10-13(26)7-8-17(15)23-19(25-20)12-4-3-9-22-11-12/h1-11,26H,(H2,21,27)(H,23,24,25)
InChIKeyDQQAJFYHUDUWAE-UHFFFAOYSA-N
XLogP3.24
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 67297950) is 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(O)cc12.
What is the InChIKey of 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is DQQAJFYHUDUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c21-18(27)14-5-1-2-6-16(14)24-20-15-10-13(26)7-8-17(15)23-19(25-20)12-4-3-9-22-11-12/h1-11,26H,(H2,21,27)(H,23,24,25).
What are the key properties of 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 67297950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).