2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

C21H22ClN3O2 — CID 8607668

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccccc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)10-19(15-6-4-3-5-7-15)24-20(26)12-25-13-23-18-9-8-16(22)11-17(18)21(25)27/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyHDLWXIRLYQJFAR-LJQANCHMSA-N
MW383.88 g/mol
LogP3.95
Rot. Bonds6

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 8607668) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
PubChem CID8607668
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccccc1
InChIInChI=1S/C21H22ClN3O2/c1-14(2)10-19(15-6-4-3-5-7-15)24-20(26)12-25-13-23-18-9-8-16(22)11-17(18)21(25)27/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyHDLWXIRLYQJFAR-LJQANCHMSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
CID 8607690
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8565341
N-(3-methyl-1-phenylbutyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55373741
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 24684081
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
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-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (CID 8607668) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccccc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is HDLWXIRLYQJFAR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(2)10-19(15-6-4-3-5-7-15)24-20(26)12-25-13-23-18-9-8-16(22)11-17(18)21(25)27/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.95, 6 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)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 8607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).