N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide

C19H20ClN3O — CID 54757901

IUPACN-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-13-22-18-9-8-16(20)12-17(18)19(15-6-4-3-5-7-15)23(13)11-10-21-14(2)24/h3-9,12,19H,10-11H2,1-2H3,(H,21,24)
InChIKeyFVINCYMHTZGLMU-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide

N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide (PubChem CID 54757901) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide
PubChem CID54757901
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-13-22-18-9-8-16(20)12-17(18)19(15-6-4-3-5-7-15)23(13)11-10-21-14(2)24/h3-9,12,19H,10-11H2,1-2H3,(H,21,24)
InChIKeyFVINCYMHTZGLMU-UHFFFAOYSA-N
XLogP3.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
CID 13336287
N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylbutanamide
CID 240099
3-{[2-(4-Chlorophenyl)ethyl]amino}-1-phenyl-1,2-dihydropyrazin-2-one
CID 16025725
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]-2-(dimethylamino)acetamide
CID 54757999
1-[4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 54758096
6-chloro-4-(3-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758371

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide (CID 54757901) is N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide is CC(=O)NCCN1C(C)=Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide?
The InChIKey is FVINCYMHTZGLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-22-18-9-8-16(20)12-17(18)19(15-6-4-3-5-7-15)23(13)11-10-21-14(2)24/h3-9,12,19H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide?
N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide has a molecular weight of 341.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 54757901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).