N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide

C20H20ClN3O2 — CID 11773088

IUPACN-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCCCCn1c(-c2ccccc2Cl)nc2ccc(NC(C)=O)cc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-3-4-11-24-19(15-7-5-6-8-17(15)21)23-18-10-9-14(22-13(2)25)12-16(18)20(24)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeySPFPNYIGLOEARY-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.48
Rot. Bonds5

About N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide

N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide (PubChem CID 11773088) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide
PubChem CID11773088
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCCCCn1c(-c2ccccc2Cl)nc2ccc(NC(C)=O)cc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-3-4-11-24-19(15-7-5-6-8-17(15)21)23-18-10-9-14(22-13(2)25)12-16(18)20(24)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeySPFPNYIGLOEARY-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide (CID 11773088) is N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide is CCCCn1c(-c2ccccc2Cl)nc2ccc(NC(C)=O)cc2c1=O.
What is the InChIKey of N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is SPFPNYIGLOEARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-4-11-24-19(15-7-5-6-8-17(15)21)23-18-10-9-14(22-13(2)25)12-16(18)20(24)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25).
What are the key properties of N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide?
N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-butyl-2-(2-chlorophenyl)-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 11773088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).