3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one

C18H15N3O2S — CID 155565592

IUPAC3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one
SMILESO=c1[nH]c(N2CCOCC2)nc2ccc3c4ccccc4sc3c12
InChIInChI=1S/C18H15N3O2S/c22-17-15-13(19-18(20-17)21-7-9-23-10-8-21)6-5-12-11-3-1-2-4-14(11)24-16(12)15/h1-6H,7-10H2,(H,19,20,22)
InChIKeyINWYHBWZUJWHGW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.13
Rot. Bonds1

About 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one

3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one (PubChem CID 155565592) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one
PubChem CID155565592
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one
SMILESO=c1[nH]c(N2CCOCC2)nc2ccc3c4ccccc4sc3c12
InChIInChI=1S/C18H15N3O2S/c22-17-15-13(19-18(20-17)21-7-9-23-10-8-21)6-5-12-11-3-1-2-4-14(11)24-16(12)15/h1-6H,7-10H2,(H,19,20,22)
InChIKeyINWYHBWZUJWHGW-UHFFFAOYSA-N
XLogP3.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one?
The IUPAC name of 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one (CID 155565592) is 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one.
What is the SMILES notation for 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one?
The canonical SMILES for 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one is O=c1[nH]c(N2CCOCC2)nc2ccc3c4ccccc4sc3c12.
What is the InChIKey of 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one?
The InChIKey is INWYHBWZUJWHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17-15-13(19-18(20-17)21-7-9-23-10-8-21)6-5-12-11-3-1-2-4-14(11)24-16(12)15/h1-6H,7-10H2,(H,19,20,22).
What are the key properties of 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one?
3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one has a molecular weight of 337.40 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one is sourced from PubChem (CID 155565592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).