7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one

C21H22N4O2 — CID 134258777

IUPAC7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
SMILESCN1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4ncccc34)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-23-10-12-25(13-11-23)20(26)16-7-5-15(6-8-16)18-14-24(2)21(27)19-17(18)4-3-9-22-19/h3-9,14H,10-13H2,1-2H3
InChIKeyOWMDBROSDXDIJT-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.99
Rot. Bonds2

About 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one

7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one (PubChem CID 134258777) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
PubChem CID134258777
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
SMILESCN1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4ncccc34)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-23-10-12-25(13-11-23)20(26)16-7-5-15(6-8-16)18-14-24(2)21(27)19-17(18)4-3-9-22-19/h3-9,14H,10-13H2,1-2H3
InChIKeyOWMDBROSDXDIJT-UHFFFAOYSA-N
XLogP1.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one (CID 134258777) is 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one is CN1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4ncccc34)cc2)CC1.
What is the InChIKey of 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one?
The InChIKey is OWMDBROSDXDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-23-10-12-25(13-11-23)20(26)16-7-5-15(6-8-16)18-14-24(2)21(27)19-17(18)4-3-9-22-19/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one?
7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one has a molecular weight of 362.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 134258777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).