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

C16H10BrCl2N3O2 — CID 3688106

IUPACN-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H10BrCl2N3O2/c17-9-1-3-11(4-2-9)21-14(23)7-22-8-20-15-12(16(22)24)5-10(18)6-13(15)19/h1-6,8H,7H2,(H,21,23)
InChIKeyNWCMOFZKNZDQOO-UHFFFAOYSA-N
MW427.09 g/mol
LogP4.10
Rot. Bonds3

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

N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 3688106) has the molecular formula C16H10BrCl2N3O2 and a molecular weight of 427.09 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID3688106
Molecular FormulaC16H10BrCl2N3O2
Molecular Weight427.09 g/mol
Exact Mass424.93
IUPAC NameN-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H10BrCl2N3O2/c17-9-1-3-11(4-2-9)21-14(23)7-22-8-20-15-12(16(22)24)5-10(18)6-13(15)19/h1-6,8H,7H2,(H,21,23)
InChIKeyNWCMOFZKNZDQOO-UHFFFAOYSA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.09
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (CID 3688106) is N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NWCMOFZKNZDQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N3O2/c17-9-1-3-11(4-2-9)21-14(23)7-22-8-20-15-12(16(22)24)5-10(18)6-13(15)19/h1-6,8H,7H2,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 427.09 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 3688106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).