3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

C18H23N3O3S — CID 3181413

IUPAC3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3S/c1-2-3-8-21-17(23)14-6-4-5-7-15(14)19-18(21)25-13-16(22)20-9-11-24-12-10-20/h4-7H,2-3,8-13H2,1H3
InChIKeyZFXVLBRMCVFBCG-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds6

About 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one

3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (PubChem CID 3181413) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
PubChem CID3181413
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C18H23N3O3S/c1-2-3-8-21-17(23)14-6-4-5-7-15(14)19-18(21)25-13-16(22)20-9-11-24-12-10-20/h4-7H,2-3,8-13H2,1H3
InChIKeyZFXVLBRMCVFBCG-UHFFFAOYSA-N
XLogP2.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Proquinazid
CID 11057771
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
CID 726944
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
4(3H)-Quinazolinone, 2-morpholino-
CID 135413123
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-(2,2-Dimethyloxan-4-yl)-2-methylsulfanylquinazolin-4-one
CID 3143123
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one (CID 3181413) is 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is CCCCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
The InChIKey is ZFXVLBRMCVFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-3-8-21-17(23)14-6-4-5-7-15(14)19-18(21)25-13-16(22)20-9-11-24-12-10-20/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one?
3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one has a molecular weight of 361.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 3181413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).