2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide

C16H18Cl2N4O4 — CID 7875350

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H18Cl2N4O4/c1-2-26-5-3-4-19-16(25)21-13(23)8-22-9-20-14-11(15(22)24)6-10(17)7-12(14)18/h6-7,9H,2-5,8H2,1H3,(H2,19,21,23,25)
InChIKeyYQIQABRRZAPVGU-UHFFFAOYSA-N
MW401.25 g/mol
LogP1.96
Rot. Bonds7

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide (PubChem CID 7875350) has the molecular formula C16H18Cl2N4O4 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide
PubChem CID7875350
Molecular FormulaC16H18Cl2N4O4
Molecular Weight401.25 g/mol
Exact Mass400.07
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H18Cl2N4O4/c1-2-26-5-3-4-19-16(25)21-13(23)8-22-9-20-14-11(15(22)24)6-10(17)7-12(14)18/h6-7,9H,2-5,8H2,1H3,(H2,19,21,23,25)
InChIKeyYQIQABRRZAPVGU-UHFFFAOYSA-N
XLogP1.96
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7875306
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
N-(1-cyclopropylpiperidin-4-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 38858482
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
CID 4823286
N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 16610686
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide (CID 7875350) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide is CCOCCCNC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide?
The InChIKey is YQIQABRRZAPVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O4/c1-2-26-5-3-4-19-16(25)21-13(23)8-22-9-20-14-11(15(22)24)6-10(17)7-12(14)18/h6-7,9H,2-5,8H2,1H3,(H2,19,21,23,25).
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide has a molecular weight of 401.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(3-ethoxypropylcarbamoyl)acetamide is sourced from PubChem (CID 7875350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).