2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one

C20H19N3O2S — CID 3169097

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O2S/c1-22-19(25)15-9-3-4-10-16(15)21-20(22)26-13-18(24)23-12-6-8-14-7-2-5-11-17(14)23/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyDIGPGAYYNROTGO-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.01
Rot. Bonds3

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one (PubChem CID 3169097) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
PubChem CID3169097
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C20H19N3O2S/c1-22-19(25)15-9-3-4-10-16(15)21-20(22)26-13-18(24)23-12-6-8-14-7-2-5-11-17(14)23/h2-5,7,9-11H,6,8,12-13H2,1H3
InChIKeyDIGPGAYYNROTGO-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one with MolForge

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Related Compounds

3-phenyl-3H-quinazolin-4-one
CID 785275
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one (CID 3169097) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one is Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
The InChIKey is DIGPGAYYNROTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-22-19(25)15-9-3-4-10-16(15)21-20(22)26-13-18(24)23-12-6-8-14-7-2-5-11-17(14)23/h2-5,7,9-11H,6,8,12-13H2,1H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one is sourced from PubChem (CID 3169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).