N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

C18H19ClN4O5 — CID 53111845

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc1Cl
InChIInChI=1S/C18H19ClN4O5/c1-21-16-10(17(25)22(2)18(21)26)5-6-23(16)9-15(24)20-12-7-11(19)13(27-3)8-14(12)28-4/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyBYNVKNXOOBOYAQ-UHFFFAOYSA-N
MW406.83 g/mol
LogP1.35
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (PubChem CID 53111845) has the molecular formula C18H19ClN4O5 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
PubChem CID53111845
Molecular FormulaC18H19ClN4O5
Molecular Weight406.83 g/mol
Exact Mass406.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc1Cl
InChIInChI=1S/C18H19ClN4O5/c1-21-16-10(17(25)22(2)18(21)26)5-6-23(16)9-15(24)20-12-7-11(19)13(27-3)8-14(12)28-4/h5-8H,9H2,1-4H3,(H,20,24)
InChIKeyBYNVKNXOOBOYAQ-UHFFFAOYSA-N
XLogP1.35
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111763
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
N-(5-chloro-2,4-dimethoxyphenyl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide
CID 50848325
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxoquinoline-3-carboxylic acid
CID 155322891
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111925
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290307
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
CID 20851579

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (CID 53111845) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is COc1cc(OC)c(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is BYNVKNXOOBOYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5/c1-21-16-10(17(25)22(2)18(21)26)5-6-23(16)9-15(24)20-12-7-11(19)13(27-3)8-14(12)28-4/h5-8H,9H2,1-4H3,(H,20,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 406.83 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 53111845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).