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

C18H13N3O2S2 — CID 656220

IUPACN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C18H13N3O2S2/c22-17(15-8-4-10-25-15)20-21-16(11-12-5-3-9-24-12)19-14-7-2-1-6-13(14)18(21)23/h1-10H,11H2,(H,20,22)
InChIKeyFCBIYVMKAMUMGP-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.49
Rot. Bonds4

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

N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide (PubChem CID 656220) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide
PubChem CID656220
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C18H13N3O2S2/c22-17(15-8-4-10-25-15)20-21-16(11-12-5-3-9-24-12)19-14-7-2-1-6-13(14)18(21)23/h1-10H,11H2,(H,20,22)
InChIKeyFCBIYVMKAMUMGP-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide (CID 656220) is N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide is O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1.
What is the InChIKey of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide?
The InChIKey is FCBIYVMKAMUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-17(15-8-4-10-25-15)20-21-16(11-12-5-3-9-24-12)19-14-7-2-1-6-13(14)18(21)23/h1-10H,11H2,(H,20,22).
What are the key properties of N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide?
N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 3.49, 4 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]thiophene-2-carboxamide is sourced from PubChem (CID 656220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).