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

C21H21ClN4O6 — CID 155317215

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O
InChIInChI=1S/C21H21ClN4O6/c1-23-18(27)10-26-20(29)12-6-4-5-7-15(12)25(21(26)30)11-19(28)24-14-8-13(22)16(31-2)9-17(14)32-3/h4-9H,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeySODSUQBLVLJWOK-UHFFFAOYSA-N
MW460.87 g/mol
LogP1.22
Rot. Bonds7

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 155317215) has the molecular formula C21H21ClN4O6 and a molecular weight of 460.87 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID155317215
Molecular FormulaC21H21ClN4O6
Molecular Weight460.87 g/mol
Exact Mass460.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O
InChIInChI=1S/C21H21ClN4O6/c1-23-18(27)10-26-20(29)12-6-4-5-7-15(12)25(21(26)30)11-19(28)24-14-8-13(22)16(31-2)9-17(14)32-3/h4-9H,10-11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeySODSUQBLVLJWOK-UHFFFAOYSA-N
XLogP1.22
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.87
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

{1-[(5-Chloro-2,4-dimethoxy-phenylcarbamoyl)-methyl]-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl}-acetic acid
CID 24896589
N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 15995157
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-pyridin-3-ylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 25164630
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 59317699
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(dimethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317223
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317233
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317244
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(4-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317252
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317260
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317268
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 155317277
2-[1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 155322874

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 155317215) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is SODSUQBLVLJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O6/c1-23-18(27)10-26-20(29)12-6-4-5-7-15(12)25(21(26)30)11-19(28)24-14-8-13(22)16(31-2)9-17(14)32-3/h4-9H,10-11H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 460.87 g/mol, XLogP of 1.22, 7 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-[3-[2-(methylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 155317215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).