N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide

C18H14N4O2S — CID 2377065

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide
SMILESN#Cc1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2
InChIInChI=1S/C18H14N4O2S/c19-8-13-11-5-3-7-15(11)25-18(13)22-16(23)9-24-17-12-4-1-2-6-14(12)20-10-21-17/h1-2,4,6,10H,3,5,7,9H2,(H,22,23)
InChIKeyUPEOYBQXODNXDS-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.07
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide (PubChem CID 2377065) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide
PubChem CID2377065
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide
SMILESN#Cc1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2
InChIInChI=1S/C18H14N4O2S/c19-8-13-11-5-3-7-15(11)25-18(13)22-16(23)9-24-17-12-4-1-2-6-14(12)20-10-21-17/h1-2,4,6,10H,3,5,7,9H2,(H,22,23)
InChIKeyUPEOYBQXODNXDS-UHFFFAOYSA-N
XLogP3.07
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide (CID 2377065) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide is N#Cc1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is UPEOYBQXODNXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c19-8-13-11-5-3-7-15(11)25-18(13)22-16(23)9-24-17-12-4-1-2-6-14(12)20-10-21-17/h1-2,4,6,10H,3,5,7,9H2,(H,22,23).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 350.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2377065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).