1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

C18H16N2O2S — CID 7145313

IUPAC1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-19-16-6-4-3-5-15(16)18(20-12)23-11-17(21)13-7-9-14(22-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyHBEQOBBFJNRZOX-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (PubChem CID 7145313) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
PubChem CID7145313
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-19-16-6-4-3-5-15(16)18(20-12)23-11-17(21)13-7-9-14(22-2)10-8-13/h3-10H,11H2,1-2H3
InChIKeyHBEQOBBFJNRZOX-UHFFFAOYSA-N
XLogP3.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7680307
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
methyl 2,4-dimethyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate
CID 84601710
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-quinolin-4-ylsulfanylethanone
CID 18790583
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (CID 7145313) is 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is COc1ccc(C(=O)CSc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The InChIKey is HBEQOBBFJNRZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-19-16-6-4-3-5-15(16)18(20-12)23-11-17(21)13-7-9-14(22-2)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone has a molecular weight of 324.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 7145313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).