3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C24H28N4O2 — CID 2519320

IUPAC3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O2/c1-5-26-15-20(22(29)19-10-9-17(3)25-23(19)26)24(30)28-13-11-27(12-14-28)21-8-6-7-16(2)18(21)4/h6-10,15H,5,11-14H2,1-4H3
InChIKeyHPWDXOPEHQHVJZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.30
Rot. Bonds3

About 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 2519320) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID2519320
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O2/c1-5-26-15-20(22(29)19-10-9-17(3)25-23(19)26)24(30)28-13-11-27(12-14-28)21-8-6-7-16(2)18(21)4/h6-10,15H,5,11-14H2,1-4H3
InChIKeyHPWDXOPEHQHVJZ-UHFFFAOYSA-N
XLogP3.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 2519320) is 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is HPWDXOPEHQHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-26-15-20(22(29)19-10-9-17(3)25-23(19)26)24(30)28-13-11-27(12-14-28)21-8-6-7-16(2)18(21)4/h6-10,15H,5,11-14H2,1-4H3.
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 404.51 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 2519320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).