2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C25H22ClN3O6 — CID 42811228

IUPAC2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1
InChIInChI=1S/C25H22ClN3O6/c1-33-18-6-4-5-17(13-18)29-24(31)19-9-7-15(26)11-20(19)28(25(29)32)14-23(30)27-16-8-10-21(34-2)22(12-16)35-3/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyMTVTZBPKDTUAHW-UHFFFAOYSA-N
MW495.92 g/mol
LogP3.47
Rot. Bonds7

About 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 42811228) has the molecular formula C25H22ClN3O6 and a molecular weight of 495.92 g/mol. Its IUPAC name is 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID42811228
Molecular FormulaC25H22ClN3O6
Molecular Weight495.92 g/mol
Exact Mass495.12
IUPAC Name2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1
InChIInChI=1S/C25H22ClN3O6/c1-33-18-6-4-5-17(13-18)29-24(31)19-9-7-15(26)11-20(19)28(25(29)32)14-23(30)27-16-8-10-21(34-2)22(12-16)35-3/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyMTVTZBPKDTUAHW-UHFFFAOYSA-N
XLogP3.47
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 17197944
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
N-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857110
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22427951
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
2-[11-acetyl-4-(3-chlorophenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 16956158
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxoquinazoline-7-carboxamide
CID 46254578
N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762553

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 42811228) is 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)c1.
What is the InChIKey of 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is MTVTZBPKDTUAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O6/c1-33-18-6-4-5-17(13-18)29-24(31)19-9-7-15(26)11-20(19)28(25(29)32)14-23(30)27-16-8-10-21(34-2)22(12-16)35-3/h4-13H,14H2,1-3H3,(H,27,30).
What are the key properties of 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 495.92 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 42811228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).