8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one

C15H14ClN3O2S — CID 135856860

IUPAC8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2c1sc1ccc(Cl)cc12
InChIInChI=1S/C15H14ClN3O2S/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20)
InChIKeyAZJVHIQQEYWSIU-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.62
Rot. Bonds2

About 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one

8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one (PubChem CID 135856860) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
PubChem CID135856860
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2c1sc1ccc(Cl)cc12
InChIInChI=1S/C15H14ClN3O2S/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20)
InChIKeyAZJVHIQQEYWSIU-UHFFFAOYSA-N
XLogP2.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzothienopyrimidinone deriv., 14d
CID 135927921
8-Chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
CID 135566503
Benzothienopyrimidinone deriv., 6a
CID 135856854
Benzothienopyrimidinone deriv., 6b
CID 135856859
Benzothienopyrimidinone deriv., 6l
CID 135856881
Benzothienopyrimidinone deriv., 6h
CID 135856896
Benzothienopyrimidinone deriv., 6i
CID 135856912
Benzothienopyrimidinone deriv., 6j
CID 135856913
Benzothienopyrimidinone deriv., 6k
CID 135856921
Benzothienopyrimidinone deriv., 9
CID 135927906
Benzothienopyrimidinone deriv., 6g
CID 135927907
Benzothienopyrimidinone deriv., 6c
CID 135927919

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one (CID 135856860) is 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one is O=c1[nH]c(CN2CCOCC2)nc2c1sc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The InChIKey is AZJVHIQQEYWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-9-1-2-11-10(7-9)13-14(22-11)15(20)18-12(17-13)8-19-3-5-21-6-4-19/h1-2,7H,3-6,8H2,(H,17,18,20).
What are the key properties of 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one has a molecular weight of 335.82 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(morpholin-4-ylmethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135856860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).