4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide

C22H19N5O2 — CID 142747580

IUPAC4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCNC(=O)c1ccc(O)c(-c2nc(NCc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19N5O2/c1-23-22(29)15-8-9-19(28)17(11-15)21-26-18-7-3-2-6-16(18)20(27-21)25-13-14-5-4-10-24-12-14/h2-12,28H,13H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyZYHRYCUGMMHIMJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.37
Rot. Bonds5

About 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide

4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide (PubChem CID 142747580) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
PubChem CID142747580
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCNC(=O)c1ccc(O)c(-c2nc(NCc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C22H19N5O2/c1-23-22(29)15-8-9-19(28)17(11-15)21-26-18-7-3-2-6-16(18)20(27-21)25-13-14-5-4-10-24-12-14/h2-12,28H,13H2,1H3,(H,23,29)(H,25,26,27)
InChIKeyZYHRYCUGMMHIMJ-UHFFFAOYSA-N
XLogP3.37
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The IUPAC name of 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide (CID 142747580) is 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide is CNC(=O)c1ccc(O)c(-c2nc(NCc3cccnc3)c3ccccc3n2)c1.
What is the InChIKey of 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The InChIKey is ZYHRYCUGMMHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-23-22(29)15-8-9-19(28)17(11-15)21-26-18-7-3-2-6-16(18)20(27-21)25-13-14-5-4-10-24-12-14/h2-12,28H,13H2,1H3,(H,23,29)(H,25,26,27).
What are the key properties of 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide has a molecular weight of 385.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 142747580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).