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

C15H16Cl2N4O3 — CID 7875306

IUPACN-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C15H16Cl2N4O3/c1-15(2,3)20-14(24)19-11(22)6-21-7-18-12-9(13(21)23)4-8(16)5-10(12)17/h4-5,7H,6H2,1-3H3,(H2,19,20,22,24)
InChIKeyDYNAQRGQGKIFAQ-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.33
Rot. Bonds2

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

N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7875306) has the molecular formula C15H16Cl2N4O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7875306
Molecular FormulaC15H16Cl2N4O3
Molecular Weight371.22 g/mol
Exact Mass370.06
IUPAC NameN-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C15H16Cl2N4O3/c1-15(2,3)20-14(24)19-11(22)6-21-7-18-12-9(13(21)23)4-8(16)5-10(12)17/h4-5,7H,6H2,1-3H3,(H2,19,20,22,24)
InChIKeyDYNAQRGQGKIFAQ-UHFFFAOYSA-N
XLogP2.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (CID 7875306) is N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is CC(C)(C)NC(=O)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DYNAQRGQGKIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3/c1-15(2,3)20-14(24)19-11(22)6-21-7-18-12-9(13(21)23)4-8(16)5-10(12)17/h4-5,7H,6H2,1-3H3,(H2,19,20,22,24).
What are the key properties of N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 371.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7875306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).