2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone

C24H20N2O2S — CID 2931403

IUPAC2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
SMILESCOc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C24H20N2O2S/c1-16-20-15-19(28-2)13-14-21(20)26-24(25-16)29-23(18-11-7-4-8-12-18)22(27)17-9-5-3-6-10-17/h3-15,23H,1-2H3
InChIKeyWEEQPHOLZOBUNO-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.66
Rot. Bonds6

About 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone

2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone (PubChem CID 2931403) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
PubChem CID2931403
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
SMILESCOc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C24H20N2O2S/c1-16-20-15-19(28-2)13-14-21(20)26-24(25-16)29-23(18-11-7-4-8-12-18)22(27)17-9-5-3-6-10-17/h3-15,23H,1-2H3
InChIKeyWEEQPHOLZOBUNO-UHFFFAOYSA-N
XLogP5.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
1-(2-Chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one
CID 71543087
6-Methoxy-1-(2-methylquinazolin-4-yl)-2,3-dihydroquinolin-4-one
CID 76325552
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-(3-methylbutyl)pyrimidin-4(3H)-one
CID 135399523
2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-{[(4-methylphenyl)thio]methyl}-4(1H)-pyrimidinone
CID 135433342
[(6-Methoxy-4-methylquinazolin-2-yl)sulfanyl]acetic acid
CID 661744
6-Methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
2-(Benzylthio)-6-methoxy-4-methylquinazoline
CID 897291
6-Ethoxy-4-methyl-2-[(3-methylbenzyl)sulfanyl]quinazoline
CID 943371
2-[4-Methyl-6-(naphthalen-2-yloxy)-pyrimidin-2-ylsulfanyl]-1-phenyl-ethanone
CID 1207077
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(2-ethyl-quinazolin-4-ylsulfanyl)-ethanone
CID 3192187

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The IUPAC name of 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone (CID 2931403) is 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone.
What is the SMILES notation for 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The canonical SMILES for 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone is COc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1.
What is the InChIKey of 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The InChIKey is WEEQPHOLZOBUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-16-20-15-19(28-2)13-14-21(20)26-24(25-16)29-23(18-11-7-4-8-12-18)22(27)17-9-5-3-6-10-17/h3-15,23H,1-2H3.
What are the key properties of 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone has a molecular weight of 400.50 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-methylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone is sourced from PubChem (CID 2931403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).