N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide

C23H21ClN4O4 — CID 51363758

IUPACN-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)cnc23)c1
InChIInChI=1S/C23H21ClN4O4/c1-27-11-17(14-5-4-6-16(9-14)31-2)21-22(27)23(30)28(13-25-21)12-20(29)26-15-7-8-19(32-3)18(24)10-15/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyFEFGXRRUKAXBGG-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.71
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 51363758) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID51363758
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)cnc23)c1
InChIInChI=1S/C23H21ClN4O4/c1-27-11-17(14-5-4-6-16(9-14)31-2)21-22(27)23(30)28(13-25-21)12-20(29)26-15-7-8-19(32-3)18(24)10-15/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyFEFGXRRUKAXBGG-UHFFFAOYSA-N
XLogP3.71
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363764
methyl 2-[[2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 51363752
2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 51363753
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920151
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
N-[4-(3-methoxyphenyl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46979282
N-(3-chloro-4-methoxyphenyl)-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3279104
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide (CID 51363758) is N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide is COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)cnc23)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is FEFGXRRUKAXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-27-11-17(14-5-4-6-16(9-14)31-2)21-22(27)23(30)28(13-25-21)12-20(29)26-15-7-8-19(32-3)18(24)10-15/h4-11,13H,12H2,1-3H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 452.90 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51363758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).