2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H17N3O3S — CID 135457233

IUPAC2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C18H17N3O3S/c1-12-19-17-8-9-21(11-16(17)18(22)20-12)25(23,24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyKBDPFTHOAMKUKT-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135457233) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135457233
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C18H17N3O3S/c1-12-19-17-8-9-21(11-16(17)18(22)20-12)25(23,24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyKBDPFTHOAMKUKT-UHFFFAOYSA-N
XLogP1.98
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-((5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 71801575
7-[(3,4-dimethylphenyl)sulfonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 87052557
11-(5,6,7,8-Tetrahydronaphthalen-2-ylsulfonyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 87052556
6-(naphthalen-2-ylsulfonyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 71801574
6-(4-Fluorophenyl)sulfonyl-2-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135416735
2-[(4-Methylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135427444
6-(4-Fluorophenyl)sulfonyl-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619571
2-[(2-Methylphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136231302
5-(5,6,7,8-Tetrahydronaphthalene-2-sulfonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632468
5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide
CID 67382704
N,N-diethyl-3-methyl-1-oxo-5,6-dihydro-2H-benzo[f]quinazoline-9-sulfonamide
CID 135838193
4-methyl-N-[(1S)-1-(1-methylcyclohexa-2,4-dien-1-yl)propyl]-2-(naphthalen-2-ylsulfonylamino)cyclohexa-1,5-diene-1-carboxamide
CID 142182448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135457233) is 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(S(=O)(=O)c1ccc3ccccc3c1)CC2.
What is the InChIKey of 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KBDPFTHOAMKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-19-17-8-9-21(11-16(17)18(22)20-12)25(23,24)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22).
What are the key properties of 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-naphthalen-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135457233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).