2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide

C20H20ClN3O2 — CID 7488402

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-12-4-5-15(8-13(12)2)14(3)23-19(25)10-24-11-22-18-7-6-16(21)9-17(18)20(24)26/h4-9,11,14H,10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyQEIVCGLAFVNYGE-CQSZACIVSA-N
MW369.85 g/mol
LogP3.54
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 7488402) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID7488402
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1C
InChIInChI=1S/C20H20ClN3O2/c1-12-4-5-15(8-13(12)2)14(3)23-19(25)10-24-11-22-18-7-6-16(21)9-17(18)20(24)26/h4-9,11,14H,10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyQEIVCGLAFVNYGE-CQSZACIVSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 122603669
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide (CID 7488402) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@@H](C)NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1C.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is QEIVCGLAFVNYGE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12-4-5-15(8-13(12)2)14(3)23-19(25)10-24-11-22-18-7-6-16(21)9-17(18)20(24)26/h4-9,11,14H,10H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 7488402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).