6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one

C18H17BrN2O2S — CID 24577737

IUPAC6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCCn1c(SCc2cccc(OC)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H17BrN2O2S/c1-3-21-17(22)15-10-13(19)7-8-16(15)20-18(21)24-11-12-5-4-6-14(9-12)23-2/h4-10H,3,11H2,1-2H3
InChIKeyFIHRXJNYVHRDHU-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.48
Rot. Bonds5

About 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one

6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 24577737) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID24577737
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCCn1c(SCc2cccc(OC)c2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H17BrN2O2S/c1-3-21-17(22)15-10-13(19)7-8-16(15)20-18(21)24-11-12-5-4-6-14(9-12)23-2/h4-10H,3,11H2,1-2H3
InChIKeyFIHRXJNYVHRDHU-UHFFFAOYSA-N
XLogP4.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]benzo[g]quinazolin-4-one
CID 155522820
6-bromo-3-[3-[4-[(4-methoxyphenyl)methyl]-4-methylpiperazin-4-ium-1-yl]propyl]-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one bromide
CID 159931759
6-chloro-2-[(3-methoxyphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 7691773
6-bromo-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 60585759
2-benzylsulfanyl-3-ethylbenzo[g]quinazolin-4-one
CID 8674808
3-[[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 32864447
2-[(3-fluorophenyl)methylsulfanyl]-3-[(3-methoxyphenyl)methyl]quinazolin-4-one
CID 51365392
methyl 3-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate
CID 7876216
6-bromo-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37143581
6-bromo-3-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 30425579
6-bromo-3-(3-ethoxypropyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 25337180
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one (CID 24577737) is 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one is CCn1c(SCc2cccc(OC)c2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is FIHRXJNYVHRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-3-21-17(22)15-10-13(19)7-8-16(15)20-18(21)24-11-12-5-4-6-14(9-12)23-2/h4-10H,3,11H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 405.32 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 24577737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).