4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one

C17H18ClN3O — CID 134833977

IUPAC4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCC1(C)C(=O)Nc2cccnc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O/c1-3-17(2)16(22)20-14-5-4-10-19-15(14)21(17)11-12-6-8-13(18)9-7-12/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyZSRRFXDNSPZVHC-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.86
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one

4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 134833977) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID134833977
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCCC1(C)C(=O)Nc2cccnc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O/c1-3-17(2)16(22)20-14-5-4-10-19-15(14)21(17)11-12-6-8-13(18)9-7-12/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyZSRRFXDNSPZVHC-UHFFFAOYSA-N
XLogP3.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64879523
1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880110
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
1-[(4-chlorophenyl)methyl]-2,2-diethyl-3H-quinazolin-4-one
CID 126962533
5-ethyl-5-methyl-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione
CID 79232534
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
6-chloro-4-ethyl-3,3-dimethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 115473872
1,3-dibenzyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64902315
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 15633560
3-(4-chlorophenyl)-3-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
CID 134463019
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880105

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one (CID 134833977) is 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one is CCC1(C)C(=O)Nc2cccnc2N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is ZSRRFXDNSPZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-3-17(2)16(22)20-14-5-4-10-19-15(14)21(17)11-12-6-8-13(18)9-7-12/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one?
4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 315.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-3-ethyl-3-methyl-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 134833977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).