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

C23H17Cl2N3O3 — CID 67360985

IUPACN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)C(O)c1ccccc1
InChIInChI=1S/C23H17Cl2N3O3/c24-18-8-6-14(10-19(18)25)12-28-13-26-20-9-7-16(11-17(20)23(28)31)27-22(30)21(29)15-4-2-1-3-5-15/h1-11,13,21,29H,12H2,(H,27,30)
InChIKeyLJELBFFGTXYBQG-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.42
Rot. Bonds5

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

N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 67360985) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
PubChem CID67360985
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)C(O)c1ccccc1
InChIInChI=1S/C23H17Cl2N3O3/c24-18-8-6-14(10-19(18)25)12-28-13-26-20-9-7-16(11-17(20)23(28)31)27-22(30)21(29)15-4-2-1-3-5-15/h1-11,13,21,29H,12H2,(H,27,30)
InChIKeyLJELBFFGTXYBQG-UHFFFAOYSA-N
XLogP4.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.42
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-hydroxy-2-phenylacetamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide (CID 67360985) is N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide is O=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)C(O)c1ccccc1.
What is the InChIKey of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is LJELBFFGTXYBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-18-8-6-14(10-19(18)25)12-28-13-26-20-9-7-16(11-17(20)23(28)31)27-22(30)21(29)15-4-2-1-3-5-15/h1-11,13,21,29H,12H2,(H,27,30).
What are the key properties of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide?
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 454.31 g/mol, XLogP of 4.42, 5 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-hydroxy-2-phenylacetamide is sourced from PubChem (CID 67360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).