2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid

C23H18N2O2S — CID 132587435

IUPAC2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27)
InChIKeyFSZWQZQZEBKTAC-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.52
Rot. Bonds5

About 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid

2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid (PubChem CID 132587435) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
PubChem CID132587435
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27)
InChIKeyFSZWQZQZEBKTAC-UHFFFAOYSA-N
XLogP5.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 3059947
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
(2R)-2-[2-[(S)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427660
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 5066196
(2R)-2-[2-[(R)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427658
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
CID 3070920
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 5177649
(2S)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41250875
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
butan-2-yl 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetate
CID 4729055

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid (CID 132587435) is 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid is Cc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The InChIKey is FSZWQZQZEBKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27).
What are the key properties of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid has a molecular weight of 386.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 132587435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).