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

C23H18ClN3O3 — CID 25156158

IUPACN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C23H18ClN3O3/c24-17-8-6-16(7-9-17)13-27-15-25-21-11-10-18(12-20(21)23(27)29)26-22(28)14-30-19-4-2-1-3-5-19/h1-12,15H,13-14H2,(H,26,28)
InChIKeyVVTGCFSFGWYQTR-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.12
Rot. Bonds6

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

N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide (PubChem CID 25156158) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
PubChem CID25156158
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C23H18ClN3O3/c24-17-8-6-16(7-9-17)13-27-15-25-21-11-10-18(12-20(21)23(27)29)26-22(28)14-30-19-4-2-1-3-5-19/h1-12,15H,13-14H2,(H,26,28)
InChIKeyVVTGCFSFGWYQTR-UHFFFAOYSA-N
XLogP4.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide (CID 25156158) is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
The InChIKey is VVTGCFSFGWYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-17-8-6-16(7-9-17)13-27-15-25-21-11-10-18(12-20(21)23(27)29)26-22(28)14-30-19-4-2-1-3-5-19/h1-12,15H,13-14H2,(H,26,28).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide?
N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide has a molecular weight of 419.87 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenoxyacetamide is sourced from PubChem (CID 25156158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).