2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide

C20H15N3O3S — CID 12005033

IUPAC2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)19(24)22-23-18(17-11-6-12-27-17)21-15-9-4-2-7-13(15)20(23)25/h2-12H,1H3,(H,22,24)
InChIKeyPCGUNDLOWPHDLM-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.52
Rot. Bonds4

About 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide

2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide (PubChem CID 12005033) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide
PubChem CID12005033
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)19(24)22-23-18(17-11-6-12-27-17)21-15-9-4-2-7-13(15)20(23)25/h2-12H,1H3,(H,22,24)
InChIKeyPCGUNDLOWPHDLM-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide (CID 12005033) is 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide is COc1ccccc1C(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide?
The InChIKey is PCGUNDLOWPHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)19(24)22-23-18(17-11-6-12-27-17)21-15-9-4-2-7-13(15)20(23)25/h2-12H,1H3,(H,22,24).
What are the key properties of 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide?
2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide has a molecular weight of 377.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)benzamide is sourced from PubChem (CID 12005033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).