7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C15H10Cl2N2OS — CID 18203338

IUPAC7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2ccccc2Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C15H10Cl2N2OS/c16-10-5-6-14-18-11(7-15(20)19(14)8-10)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2
InChIKeyUOQXHVPZOPGXEF-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18203338) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18203338
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2ccccc2Cl)nc2ccc(Cl)cn12
InChIInChI=1S/C15H10Cl2N2OS/c16-10-5-6-14-18-11(7-15(20)19(14)8-10)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2
InChIKeyUOQXHVPZOPGXEF-UHFFFAOYSA-N
XLogP4.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 18203338) is 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSc2ccccc2Cl)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UOQXHVPZOPGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-10-5-6-14-18-11(7-15(20)19(14)8-10)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2.
What are the key properties of 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 337.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18203338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).