3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide

C22H25N5O2 — CID 70889751

IUPAC3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3cc(OC4CCN(C)CC4)cc(C(N)=O)c3)ncc2c1
InChIInChI=1S/C22H25N5O2/c1-14-3-4-20-16(9-14)13-24-22(26-20)25-17-10-15(21(23)28)11-19(12-17)29-18-5-7-27(2)8-6-18/h3-4,9-13,18H,5-8H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyNZUDKOUDJMJSOK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.25
Rot. Bonds5

About 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide

3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide (PubChem CID 70889751) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide
PubChem CID70889751
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3cc(OC4CCN(C)CC4)cc(C(N)=O)c3)ncc2c1
InChIInChI=1S/C22H25N5O2/c1-14-3-4-20-16(9-14)13-24-22(26-20)25-17-10-15(21(23)28)11-19(12-17)29-18-5-7-27(2)8-6-18/h3-4,9-13,18H,5-8H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyNZUDKOUDJMJSOK-UHFFFAOYSA-N
XLogP3.25
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide (CID 70889751) is 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide is Cc1ccc2nc(Nc3cc(OC4CCN(C)CC4)cc(C(N)=O)c3)ncc2c1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide?
The InChIKey is NZUDKOUDJMJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-3-4-20-16(9-14)13-24-22(26-20)25-17-10-15(21(23)28)11-19(12-17)29-18-5-7-27(2)8-6-18/h3-4,9-13,18H,5-8H2,1-2H3,(H2,23,28)(H,24,25,26).
What are the key properties of 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide?
3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 70889751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).