N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

C23H18ClN3O2 — CID 7488437

IUPACN-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-11-21-19(13-18)23(29)27(15-25-21)14-22(28)26-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyJHHWLVSOBUBFRR-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.28
Rot. Bonds5

About N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7488437) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7488437
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H18ClN3O2/c24-18-10-11-21-19(13-18)23(29)27(15-25-21)14-22(28)26-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,26,28)
InChIKeyJHHWLVSOBUBFRR-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
ethyl 2-[[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4612162
N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594263
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
CID 8607690
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (CID 7488437) is N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JHHWLVSOBUBFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-18-10-11-21-19(13-18)23(29)27(15-25-21)14-22(28)26-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7488437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).