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

C17H13Cl2N3O3 — CID 139805061

IUPACN-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C17H13Cl2N3O3/c18-11-6-12(19)15-13(7-11)22(17(25)21-16(15)24)9-14(23)20-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,20,23)(H,21,24,25)
InChIKeyHEDGVTBOOLJPMY-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.31
Rot. Bonds4

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

N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 139805061) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID139805061
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C17H13Cl2N3O3/c18-11-6-12(19)15-13(7-11)22(17(25)21-16(15)24)9-14(23)20-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,20,23)(H,21,24,25)
InChIKeyHEDGVTBOOLJPMY-UHFFFAOYSA-N
XLogP2.31
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 139805076
ethyl (2S)-2-amino-3-[[2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetyl]amino]propanoate
CID 67717953
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
2-(2,4-dioxoquinazolin-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 17425530
N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 985871
5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
CID 139773469
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60602373
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
CID 169027603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide (CID 139805061) is N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide is O=C(Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is HEDGVTBOOLJPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c18-11-6-12(19)15-13(7-11)22(17(25)21-16(15)24)9-14(23)20-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,20,23)(H,21,24,25).
What are the key properties of N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide?
N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 378.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,7-dichloro-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 139805061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).