2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C21H16ClN3O2S — CID 8565341

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H16ClN3O2S/c22-15-8-9-17-16(11-15)21(27)25(13-23-17)12-19(26)24-20(18-7-4-10-28-18)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,26)/t20-/m0/s1
InChIKeyFLKGJSCYFWKIFR-FQEVSTJZSA-N
MW409.90 g/mol
LogP4.02
Rot. Bonds5

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 8565341) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID8565341
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H16ClN3O2S/c22-15-8-9-17-16(11-15)21(27)25(13-23-17)12-19(26)24-20(18-7-4-10-28-18)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,26)/t20-/m0/s1
InChIKeyFLKGJSCYFWKIFR-FQEVSTJZSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576408
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51202356
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
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-(4-propan-2-ylphenyl)acetamide
CID 5011290
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-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 8565341) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is FLKGJSCYFWKIFR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c22-15-8-9-17-16(11-15)21(27)25(13-23-17)12-19(26)24-20(18-7-4-10-28-18)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8565341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).