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

C18H15ClN4O5 — CID 145469544

IUPAC2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2O)c1=O
InChIInChI=1S/C18H15ClN4O5/c19-10-5-6-14(24)12(7-10)21-16(26)9-22-13-4-2-1-3-11(13)17(27)23(18(22)28)8-15(20)25/h1-7,24H,8-9H2,(H2,20,25)(H,21,26)
InChIKeyOOSNLXORPNWFKS-UHFFFAOYSA-N
MW402.79 g/mol
LogP0.65
Rot. Bonds5

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

2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide (PubChem CID 145469544) has the molecular formula C18H15ClN4O5 and a molecular weight of 402.79 g/mol. Its IUPAC name is 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide
PubChem CID145469544
Molecular FormulaC18H15ClN4O5
Molecular Weight402.79 g/mol
Exact Mass402.07
IUPAC Name2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2O)c1=O
InChIInChI=1S/C18H15ClN4O5/c19-10-5-6-14(24)12(7-10)21-16(26)9-22-13-4-2-1-3-11(13)17(27)23(18(22)28)8-15(20)25/h1-7,24H,8-9H2,(H2,20,25)(H,21,26)
InChIKeyOOSNLXORPNWFKS-UHFFFAOYSA-N
XLogP0.65
TPSA136.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767959
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46925353
5-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762906
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 154581966
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide (CID 145469544) is 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide is NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2O)c1=O.
What is the InChIKey of 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide?
The InChIKey is OOSNLXORPNWFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O5/c19-10-5-6-14(24)12(7-10)21-16(26)9-22-13-4-2-1-3-11(13)17(27)23(18(22)28)8-15(20)25/h1-7,24H,8-9H2,(H2,20,25)(H,21,26).
What are the key properties of 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide?
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide has a molecular weight of 402.79 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 145469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).