2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C22H14Cl3N3O2 — CID 41077256

IUPAC2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C22H14Cl3N3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29)
InChIKeyMZPLGWTWJPADNV-UHFFFAOYSA-N
MW458.73 g/mol
LogP5.91
Rot. Bonds3

About 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 41077256) has the molecular formula C22H14Cl3N3O2 and a molecular weight of 458.73 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID41077256
Molecular FormulaC22H14Cl3N3O2
Molecular Weight458.73 g/mol
Exact Mass457.02
IUPAC Name2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C22H14Cl3N3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29)
InChIKeyMZPLGWTWJPADNV-UHFFFAOYSA-N
XLogP5.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 16830447
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 41077262
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 41077275

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 41077256) is 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is MZPLGWTWJPADNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29).
What are the key properties of 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 458.73 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41077256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).