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

C22H23ClN4O7 — CID 59317699

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C22H23ClN4O7/c1-33-17-10-18(34-2)15(9-14(17)23)25-20(30)12-26-16-6-4-3-5-13(16)21(31)27(22(26)32)11-19(29)24-7-8-28/h3-6,9-10,28H,7-8,11-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyJJXRRZPANCDKRI-UHFFFAOYSA-N
MW490.90 g/mol
LogP0.58
Rot. Bonds9

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 59317699) has the molecular formula C22H23ClN4O7 and a molecular weight of 490.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID59317699
Molecular FormulaC22H23ClN4O7
Molecular Weight490.90 g/mol
Exact Mass490.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl
InChIInChI=1S/C22H23ClN4O7/c1-33-17-10-18(34-2)15(9-14(17)23)25-20(30)12-26-16-6-4-3-5-13(16)21(31)27(22(26)32)11-19(29)24-7-8-28/h3-6,9-10,28H,7-8,11-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyJJXRRZPANCDKRI-UHFFFAOYSA-N
XLogP0.58
TPSA140.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.90
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 59317699) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is JJXRRZPANCDKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O7/c1-33-17-10-18(34-2)15(9-14(17)23)25-20(30)12-26-16-6-4-3-5-13(16)21(31)27(22(26)32)11-19(29)24-7-8-28/h3-6,9-10,28H,7-8,11-12H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 490.90 g/mol, XLogP of 0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 59317699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).