N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

C17H13Cl2N3O3 — CID 25158453

IUPACN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
InChIInChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
InChIKeyZZCPRLFJMWBCSV-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.68
Rot. Bonds4

About N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (PubChem CID 25158453) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
PubChem CID25158453
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
InChIInChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
InChIKeyZZCPRLFJMWBCSV-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (CID 25158453) is N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1.
What is the InChIKey of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The InChIKey is ZZCPRLFJMWBCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24).
What are the key properties of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide has a molecular weight of 378.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is sourced from PubChem (CID 25158453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).