2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

C20H16N4O2S — CID 91625669

IUPAC2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C20H16N4O2S/c25-19(11-24-13-23-17-4-2-1-3-16(17)20(24)26)22-10-14-5-7-21-18(9-14)15-6-8-27-12-15/h1-9,12-13H,10-11H2,(H,22,25)
InChIKeyBZPISWBWPKHBMO-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91625669) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
PubChem CID91625669
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C20H16N4O2S/c25-19(11-24-13-23-17-4-2-1-3-16(17)20(24)26)22-10-14-5-7-21-18(9-14)15-6-8-27-12-15/h1-9,12-13H,10-11H2,(H,22,25)
InChIKeyBZPISWBWPKHBMO-UHFFFAOYSA-N
XLogP2.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 119100870
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596320
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 46400059
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 121165797
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (CID 91625669) is 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is BZPISWBWPKHBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-19(11-24-13-23-17-4-2-1-3-16(17)20(24)26)22-10-14-5-7-21-18(9-14)15-6-8-27-12-15/h1-9,12-13H,10-11H2,(H,22,25).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).