N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

C19H21ClN4O4 — CID 53111763

IUPACN-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCCn1c(=O)c2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2n(CC)c1=O
InChIInChI=1S/C19H21ClN4O4/c1-4-23-17-13(18(26)24(5-2)19(23)27)8-9-22(17)11-16(25)21-12-6-7-15(28-3)14(20)10-12/h6-10H,4-5,11H2,1-3H3,(H,21,25)
InChIKeyXUCGTCMUQVQEDR-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.31
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (PubChem CID 53111763) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
PubChem CID53111763
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
SMILESCCn1c(=O)c2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2n(CC)c1=O
InChIInChI=1S/C19H21ClN4O4/c1-4-23-17-13(18(26)24(5-2)19(23)27)8-9-22(17)11-16(25)21-12-6-7-15(28-3)14(20)10-12/h6-10H,4-5,11H2,1-3H3,(H,21,25)
InChIKeyXUCGTCMUQVQEDR-UHFFFAOYSA-N
XLogP2.31
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 53111814
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33398940
2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-ethylacetamide
CID 53111811
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111845
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 62814950
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929766
N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide (CID 53111763) is N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is CCn1c(=O)c2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2n(CC)c1=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is XUCGTCMUQVQEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-4-23-17-13(18(26)24(5-2)19(23)27)8-9-22(17)11-16(25)21-12-6-7-15(28-3)14(20)10-12/h6-10H,4-5,11H2,1-3H3,(H,21,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 404.85 g/mol, XLogP of 2.31, 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-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 53111763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).