3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride

C14H10Cl3N3O — CID 136711467

IUPAC3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
SMILESCc1nc2[nH+]cccc2c(=O)n1-c1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C14H9Cl2N3O.ClH/c1-8-18-13-10(3-2-6-17-13)14(20)19(8)12-5-4-9(15)7-11(12)16;/h2-7H,1H3;1H
InChIKeyXDSIAOMSUNYDDF-UHFFFAOYSA-N
MW342.61 g/mol
LogP-0.18
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride

3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride (PubChem CID 136711467) has the molecular formula C14H10Cl3N3O and a molecular weight of 342.61 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
PubChem CID136711467
Molecular FormulaC14H10Cl3N3O
Molecular Weight342.61 g/mol
Exact Mass340.99
IUPAC Name3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
SMILESCc1nc2[nH+]cccc2c(=O)n1-c1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C14H9Cl2N3O.ClH/c1-8-18-13-10(3-2-6-17-13)14(20)19(8)12-5-4-9(15)7-11(12)16;/h2-7H,1H3;1H
InChIKeyXDSIAOMSUNYDDF-UHFFFAOYSA-N
XLogP-0.18
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
CID 136711472
2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
CID 745846
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
3-amino-6-chloro-1-(2,4-dichlorophenyl)quinoxalin-2-one
CID 70575907
4-(2,4-dichlorophenyl)-1-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091359
5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 11473961
1-(2,4-dichlorophenyl)-4-methoxy-N,N-dimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 102035452
2-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)propanamide
CID 42736167
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride (CID 136711467) is 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride is Cc1nc2[nH+]cccc2c(=O)n1-c1ccc(Cl)cc1Cl.[Cl-].
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
The InChIKey is XDSIAOMSUNYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O.ClH/c1-8-18-13-10(3-2-6-17-13)14(20)19(8)12-5-4-9(15)7-11(12)16;/h2-7H,1H3;1H.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride?
3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride has a molecular weight of 342.61 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride is sourced from PubChem (CID 136711467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).