N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide

C22H18ClN3O2 — CID 18886863

IUPACN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14-7-9-16(10-8-14)21(27)25-26-20(15-5-3-2-4-6-15)24-19-12-11-17(23)13-18(19)22(26)28/h2-13,20,24H,1H3,(H,25,27)
InChIKeyXYYLILUUHSYNJI-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.56
Rot. Bonds3

About N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide

N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide (PubChem CID 18886863) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
PubChem CID18886863
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14-7-9-16(10-8-14)21(27)25-26-20(15-5-3-2-4-6-15)24-19-12-11-17(23)13-18(19)22(26)28/h2-13,20,24H,1H3,(H,25,27)
InChIKeyXYYLILUUHSYNJI-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide?
The IUPAC name of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide (CID 18886863) is N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)cc1.
What is the InChIKey of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide?
The InChIKey is XYYLILUUHSYNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14-7-9-16(10-8-14)21(27)25-26-20(15-5-3-2-4-6-15)24-19-12-11-17(23)13-18(19)22(26)28/h2-13,20,24H,1H3,(H,25,27).
What are the key properties of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide?
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide has a molecular weight of 391.86 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide is sourced from PubChem (CID 18886863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).