2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one

C19H14N2O3S — CID 87038288

IUPAC2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CS(=O)(=O)c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C19H14N2O3S/c22-19-12-16(20-18-7-3-4-10-21(18)19)13-25(23,24)17-9-8-14-5-1-2-6-15(14)11-17/h1-12H,13H2
InChIKeyRCBBMOYFCLJNJD-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.82
Rot. Bonds3

About 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one

2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 87038288) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID87038288
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CS(=O)(=O)c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C19H14N2O3S/c22-19-12-16(20-18-7-3-4-10-21(18)19)13-25(23,24)17-9-8-14-5-1-2-6-15(14)11-17/h1-12H,13H2
InChIKeyRCBBMOYFCLJNJD-UHFFFAOYSA-N
XLogP2.82
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 87038288) is 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CS(=O)(=O)c2ccc3ccccc3c2)nc2ccccn12.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RCBBMOYFCLJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-19-12-16(20-18-7-3-4-10-21(18)19)13-25(23,24)17-9-8-14-5-1-2-6-15(14)11-17/h1-12H,13H2.
What are the key properties of 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 87038288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).