6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one

C18H22BrN3O3S — CID 18085142

IUPAC6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SC(C)C(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H22BrN3O3S/c1-3-6-22-17(24)14-11-13(19)4-5-15(14)20-18(22)26-12(2)16(23)21-7-9-25-10-8-21/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyRJTDVZNPDSEXTN-UHFFFAOYSA-N
MW440.36 g/mol
LogP2.91
Rot. Bonds5

About 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one

6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one (PubChem CID 18085142) has the molecular formula C18H22BrN3O3S and a molecular weight of 440.36 g/mol. Its IUPAC name is 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one
PubChem CID18085142
Molecular FormulaC18H22BrN3O3S
Molecular Weight440.36 g/mol
Exact Mass439.06
IUPAC Name6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SC(C)C(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H22BrN3O3S/c1-3-6-22-17(24)14-11-13(19)4-5-15(14)20-18(22)26-12(2)16(23)21-7-9-25-10-8-21/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyRJTDVZNPDSEXTN-UHFFFAOYSA-N
XLogP2.91
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one (CID 18085142) is 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one is CCCn1c(SC(C)C(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one?
The InChIKey is RJTDVZNPDSEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3S/c1-3-6-22-17(24)14-11-13(19)4-5-15(14)20-18(22)26-12(2)16(23)21-7-9-25-10-8-21/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one?
6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one has a molecular weight of 440.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 18085142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).