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

C23H17Cl2N3O3 — CID 25155343

IUPACN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
InChIInChI=1S/C23H17Cl2N3O3/c24-19-8-6-15(10-20(19)25)12-28-14-26-21-9-7-16(11-18(21)23(28)30)27-22(29)13-31-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,27,29)
InChIKeyKOAUQKJNSJNVIB-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.77
Rot. Bonds6

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

N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide (PubChem CID 25155343) 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-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
PubChem CID25155343
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC NameN-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
InChIInChI=1S/C23H17Cl2N3O3/c24-19-8-6-15(10-20(19)25)12-28-14-26-21-9-7-16(11-18(21)23(28)30)27-22(29)13-31-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,27,29)
InChIKeyKOAUQKJNSJNVIB-UHFFFAOYSA-N
XLogP4.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
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-phenoxyacetamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide (CID 25155343) is N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)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-phenoxyacetamide?
The InChIKey is KOAUQKJNSJNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-19-8-6-15(10-20(19)25)12-28-14-26-21-9-7-16(11-18(21)23(28)30)27-22(29)13-31-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,27,29).
What are the key properties of N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide has a molecular weight of 454.31 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 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-phenoxyacetamide is sourced from PubChem (CID 25155343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).