2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

C23H17Cl2N3O3 — CID 18576712

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H17Cl2N3O3/c1-14-26-20-8-3-2-7-18(20)23(30)28(14)17-6-4-5-16(12-17)27-22(29)13-31-21-10-9-15(24)11-19(21)25/h2-12H,13H2,1H3,(H,27,29)
InChIKeyJYRWVINTDNUTIR-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.02
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (PubChem CID 18576712) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
PubChem CID18576712
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H17Cl2N3O3/c1-14-26-20-8-3-2-7-18(20)23(30)28(14)17-6-4-5-16(12-17)27-22(29)13-31-21-10-9-15(24)11-19(21)25/h2-12H,13H2,1H3,(H,27,29)
InChIKeyJYRWVINTDNUTIR-UHFFFAOYSA-N
XLogP5.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 41077275
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
CID 124926423
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (CID 18576712) is 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The InChIKey is JYRWVINTDNUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c1-14-26-20-8-3-2-7-18(20)23(30)28(14)17-6-4-5-16(12-17)27-22(29)13-31-21-10-9-15(24)11-19(21)25/h2-12H,13H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide has a molecular weight of 454.31 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is sourced from PubChem (CID 18576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).