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

C23H18ClN3O3 — CID 16830179

IUPAC5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O3/c1-14-25-20-9-4-3-8-18(20)23(29)27(14)17-7-5-6-16(13-17)26-22(28)19-12-15(24)10-11-21(19)30-2/h3-13H,1-2H3,(H,26,28)
InChIKeyCPASJJOPQKQGQE-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.61
Rot. Bonds4

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

5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 16830179) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID16830179
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18ClN3O3/c1-14-25-20-9-4-3-8-18(20)23(29)27(14)17-7-5-6-16(13-17)26-22(28)19-12-15(24)10-11-21(19)30-2/h3-13H,1-2H3,(H,26,28)
InChIKeyCPASJJOPQKQGQE-UHFFFAOYSA-N
XLogP4.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 16830179) is 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is CPASJJOPQKQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-25-20-9-4-3-8-18(20)23(29)27(14)17-7-5-6-16(13-17)26-22(28)19-12-15(24)10-11-21(19)30-2/h3-13H,1-2H3,(H,26,28).
What are the key properties of 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 419.87 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 16830179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).