2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide

C20H21N5O3 — CID 43038095

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(N4CCOCC4)nc3)cnc12
InChIInChI=1S/C20H21N5O3/c1-14-3-2-4-16-19(14)22-13-25(20(16)27)12-18(26)23-15-5-6-17(21-11-15)24-7-9-28-10-8-24/h2-6,11,13H,7-10,12H2,1H3,(H,23,26)
InChIKeyISCXIRBCWDYDHJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.58
Rot. Bonds4

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide (PubChem CID 43038095) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
PubChem CID43038095
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(N4CCOCC4)nc3)cnc12
InChIInChI=1S/C20H21N5O3/c1-14-3-2-4-16-19(14)22-13-25(20(16)27)12-18(26)23-15-5-6-17(21-11-15)24-7-9-28-10-8-24/h2-6,11,13H,7-10,12H2,1H3,(H,23,26)
InChIKeyISCXIRBCWDYDHJ-UHFFFAOYSA-N
XLogP1.58
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide (CID 43038095) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3ccc(N4CCOCC4)nc3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The InChIKey is ISCXIRBCWDYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-3-2-4-16-19(14)22-13-25(20(16)27)12-18(26)23-15-5-6-17(21-11-15)24-7-9-28-10-8-24/h2-6,11,13H,7-10,12H2,1H3,(H,23,26).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 43038095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).