N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide

C28H27ClN4O6 — CID 46247876

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C28H27ClN4O6/c1-38-23-15-24(39-2)21(14-20(23)29)31-26(35)17-32-22-11-7-6-10-19(22)27(36)33(28(32)37)16-25(34)30-13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyHLLBRDUDPDFWHN-UHFFFAOYSA-N
MW551.00 g/mol
LogP2.83
Rot. Bonds10

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide (PubChem CID 46247876) has the molecular formula C28H27ClN4O6 and a molecular weight of 551.00 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
PubChem CID46247876
Molecular FormulaC28H27ClN4O6
Molecular Weight551.00 g/mol
Exact Mass550.16
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C28H27ClN4O6/c1-38-23-15-24(39-2)21(14-20(23)29)31-26(35)17-32-22-11-7-6-10-19(22)27(36)33(28(32)37)16-25(34)30-13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyHLLBRDUDPDFWHN-UHFFFAOYSA-N
XLogP2.83
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.00
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 25165041
N-(5-chloro-2-methoxy-4-methylphenyl)-2-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 71064007
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[3-(4-hydroxycyclohexyl)-2-oxopropyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 158106636
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 59317683
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(4-cyclobutyl-4-oxobutyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 158027386
2-[3-[(5R)-5-amino-3-imino-2-oxohexyl]-2,4-dioxoquinazolin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 174688957
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(5-morpholin-4-yl-2-oxopentyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 160804593
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide (CID 46247876) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The InChIKey is HLLBRDUDPDFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O6/c1-38-23-15-24(39-2)21(14-20(23)29)31-26(35)17-32-22-11-7-6-10-19(22)27(36)33(28(32)37)16-25(34)30-13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide has a molecular weight of 551.00 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide is sourced from PubChem (CID 46247876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).