N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide

C23H20ClN3O3 — CID 18886967

IUPACN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-30-18-10-7-16(8-11-18)22-25-20-12-9-17(24)14-19(20)23(29)27(22)26-21(28)13-15-5-3-2-4-6-15/h2-12,14,22,25H,13H2,1H3,(H,26,28)
InChIKeyJXWUGEDICQSYCC-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.19
Rot. Bonds5

About N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide

N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide (PubChem CID 18886967) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
PubChem CID18886967
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O3/c1-30-18-10-7-16(8-11-18)22-25-20-12-9-17(24)14-19(20)23(29)27(22)26-21(28)13-15-5-3-2-4-6-15/h2-12,14,22,25H,13H2,1H3,(H,26,28)
InChIKeyJXWUGEDICQSYCC-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide (CID 18886967) is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is JXWUGEDICQSYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-30-18-10-7-16(8-11-18)22-25-20-12-9-17(24)14-19(20)23(29)27(22)26-21(28)13-15-5-3-2-4-6-15/h2-12,14,22,25H,13H2,1H3,(H,26,28).
What are the key properties of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 421.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 18886967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).