N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

C26H23ClN4O6 — CID 155322902

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O
InChIInChI=1S/C26H23ClN4O6/c1-36-21-10-6-4-8-18(21)28-24(33)15-31-25(34)17-7-3-5-9-20(17)30(26(31)35)14-23(32)29-19-13-16(27)11-12-22(19)37-2/h3-13H,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyQEBAHZCEEIGILM-UHFFFAOYSA-N
MW522.95 g/mol
LogP3.11
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 155322902) has the molecular formula C26H23ClN4O6 and a molecular weight of 522.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID155322902
Molecular FormulaC26H23ClN4O6
Molecular Weight522.95 g/mol
Exact Mass522.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O
InChIInChI=1S/C26H23ClN4O6/c1-36-21-10-6-4-8-18(21)28-24(33)15-31-25(34)17-7-3-5-9-20(17)30(26(31)35)14-23(32)29-19-13-16(27)11-12-22(19)37-2/h3-13H,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyQEBAHZCEEIGILM-UHFFFAOYSA-N
XLogP3.11
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.95
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 155322902) is N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is QEBAHZCEEIGILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O6/c1-36-21-10-6-4-8-18(21)28-24(33)15-31-25(34)17-7-3-5-9-20(17)30(26(31)35)14-23(32)29-19-13-16(27)11-12-22(19)37-2/h3-13H,14-15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 522.95 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 155322902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).