2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C20H19Cl2N3O4 — CID 46605877

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C20H19Cl2N3O4/c1-11(14-8-13(28-2)4-5-17(14)29-3)24-18(26)9-25-10-23-19-15(20(25)27)6-12(21)7-16(19)22/h4-8,10-11H,9H2,1-3H3,(H,24,26)
InChIKeyMCAQGTJMEMHAJS-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.60
Rot. Bonds6

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 46605877) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID46605877
Molecular FormulaC20H19Cl2N3O4
Molecular Weight436.30 g/mol
Exact Mass435.08
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1
InChIInChI=1S/C20H19Cl2N3O4/c1-11(14-8-13(28-2)4-5-17(14)29-3)24-18(26)9-25-10-23-19-15(20(25)27)6-12(21)7-16(19)22/h4-8,10-11H,9H2,1-3H3,(H,24,26)
InChIKeyMCAQGTJMEMHAJS-UHFFFAOYSA-N
XLogP3.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
2-(2,3-dichlorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9286615
6,8-dichloro-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]quinazolin-4-one
CID 42888318
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 17478588
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26813139
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 19518123
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 96503311

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 46605877) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(C(C)NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is MCAQGTJMEMHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c1-11(14-8-13(28-2)4-5-17(14)29-3)24-18(26)9-25-10-23-19-15(20(25)27)6-12(21)7-16(19)22/h4-8,10-11H,9H2,1-3H3,(H,24,26).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 436.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46605877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).