N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide

C19H15N3O2S2 — CID 655409

IUPACN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C19H15N3O2S2/c23-18(12-14-6-4-10-26-14)21-22-17(11-13-5-3-9-25-13)20-16-8-2-1-7-15(16)19(22)24/h1-10H,11-12H2,(H,21,23)
InChIKeyKUFXCLSOPLSLRB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.42
Rot. Bonds5

About N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide

N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 655409) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID655409
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C19H15N3O2S2/c23-18(12-14-6-4-10-26-14)21-22-17(11-13-5-3-9-25-13)20-16-8-2-1-7-15(16)19(22)24/h1-10H,11-12H2,(H,21,23)
InChIKeyKUFXCLSOPLSLRB-UHFFFAOYSA-N
XLogP3.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide (CID 655409) is N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O.
What is the InChIKey of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KUFXCLSOPLSLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-18(12-14-6-4-10-26-14)21-22-17(11-13-5-3-9-25-13)20-16-8-2-1-7-15(16)19(22)24/h1-10H,11-12H2,(H,21,23).
What are the key properties of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide?
N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 655409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).