N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide

C19H15ClN4O2 — CID 127032770

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc12
InChIInChI=1S/C19H15ClN4O2/c20-15-6-4-13(5-7-15)8-9-22-17(25)11-24-12-23-18-14(10-21)2-1-3-16(18)19(24)26/h1-7,12H,8-9,11H2,(H,22,25)
InChIKeyOMAOTMMMFIUYGY-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide (PubChem CID 127032770) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide
PubChem CID127032770
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc12
InChIInChI=1S/C19H15ClN4O2/c20-15-6-4-13(5-7-15)8-9-22-17(25)11-24-12-23-18-14(10-21)2-1-3-16(18)19(24)26/h1-7,12H,8-9,11H2,(H,22,25)
InChIKeyOMAOTMMMFIUYGY-UHFFFAOYSA-N
XLogP2.28
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide (CID 127032770) is N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide is N#Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OMAOTMMMFIUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-15-6-4-13(5-7-15)8-9-22-17(25)11-24-12-23-18-14(10-21)2-1-3-16(18)19(24)26/h1-7,12H,8-9,11H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 366.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(8-cyano-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 127032770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).