N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

C22H18Cl2N4O2S — CID 43058273

IUPACN-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)cc1
InChIInChI=1S/C22H18Cl2N4O2S/c1-3-14-4-6-17(7-5-14)28(13(2)29)22-26-16(11-31-22)10-27-12-25-20-18(21(27)30)8-15(23)9-19(20)24/h4-9,11-12H,3,10H2,1-2H3
InChIKeyCIRUCZPYGWBNAE-UHFFFAOYSA-N
MW473.39 g/mol
LogP5.46
Rot. Bonds5

About N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide

N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 43058273) has the molecular formula C22H18Cl2N4O2S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID43058273
Molecular FormulaC22H18Cl2N4O2S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)cc1
InChIInChI=1S/C22H18Cl2N4O2S/c1-3-14-4-6-17(7-5-14)28(13(2)29)22-26-16(11-31-22)10-27-12-25-20-18(21(27)30)8-15(23)9-19(20)24/h4-9,11-12H,3,10H2,1-2H3
InChIKeyCIRUCZPYGWBNAE-UHFFFAOYSA-N
XLogP5.46
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 43058273) is N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)cc1.
What is the InChIKey of N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is CIRUCZPYGWBNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2S/c1-3-14-4-6-17(7-5-14)28(13(2)29)22-26-16(11-31-22)10-27-12-25-20-18(21(27)30)8-15(23)9-19(20)24/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 473.39 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 43058273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).