4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C14H12ClN3O — CID 79306006

IUPAC4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cnc2c(c1)NC(=O)CN2c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-9-6-12-14(16-7-9)18(8-13(19)17-12)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyRBVRIBZPHHRRMO-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.13
Rot. Bonds1

About 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 79306006) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID79306006
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cnc2c(c1)NC(=O)CN2c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c1-9-6-12-14(16-7-9)18(8-13(19)17-12)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyRBVRIBZPHHRRMO-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
4-(4-chlorophenyl)-7-fluoro-1,3-dihydroquinoxalin-2-one
CID 79291737
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
7-bromo-4-(4-chlorophenyl)-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79290999
ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 171527396
4-[2-(5-fluoro-2-pyridinyl)acetyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 126813091
1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
5-(4-methylphenyl)-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 79294407
4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 66278904
8-chloro-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 104839596
6-chloro-3-(4-chlorophenyl)-1,4-dihydroquinazolin-2-one
CID 86039073
3,7-dimethyl-1,4-dihydropyrido[3,2-d]pyrimidin-2-one;ethane
CID 170981748

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 79306006) is 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1cnc2c(c1)NC(=O)CN2c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is RBVRIBZPHHRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-6-12-14(16-7-9)18(8-13(19)17-12)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 273.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79306006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).