2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide

C12H11Cl2N3O4 — CID 139805076

IUPAC2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCCO
InChIInChI=1S/C12H11Cl2N3O4/c13-6-3-7(14)10-8(4-6)17(12(21)16-11(10)20)5-9(19)15-1-2-18/h3-4,18H,1-2,5H2,(H,15,19)(H,16,20,21)
InChIKeyHIOZIDUYSBWZQL-UHFFFAOYSA-N
MW332.14 g/mol
LogP0.11
Rot. Bonds4

About 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide

2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 139805076) has the molecular formula C12H11Cl2N3O4 and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID139805076
Molecular FormulaC12H11Cl2N3O4
Molecular Weight332.14 g/mol
Exact Mass331.01
IUPAC Name2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCCO
InChIInChI=1S/C12H11Cl2N3O4/c13-6-3-7(14)10-8(4-6)17(12(21)16-11(10)20)5-9(19)15-1-2-18/h3-4,18H,1-2,5H2,(H,15,19)(H,16,20,21)
InChIKeyHIOZIDUYSBWZQL-UHFFFAOYSA-N
XLogP0.11
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide
CID 139805061
ethyl (2S)-2-amino-3-[[2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetyl]amino]propanoate
CID 67717953
5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
CID 139773469
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
2-carbazol-9-yl-N-(2-hydroxyethyl)acetamide
CID 43509864
2-(2,4-dioxoquinazolin-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 17425530
methyl 2-[2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)ethoxy]benzenecarboximidate
CID 139773525
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108794989
2-(6-chloro-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 10704472
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(5-hydroxypentyl)acetamide
CID 108795002

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide (CID 139805076) is 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide is O=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCCO.
What is the InChIKey of 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is HIOZIDUYSBWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O4/c13-6-3-7(14)10-8(4-6)17(12(21)16-11(10)20)5-9(19)15-1-2-18/h3-4,18H,1-2,5H2,(H,15,19)(H,16,20,21).
What are the key properties of 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 332.14 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 139805076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).