7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C24H32N4O2 — CID 21073563

IUPAC7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C
InChIInChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29)
InChIKeyNVMHXLWQTVRZFA-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.56
Rot. Bonds7

About 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073563) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073563
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C
InChIInChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29)
InChIKeyNVMHXLWQTVRZFA-UHFFFAOYSA-N
XLogP3.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073563) is 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1C.
What is the InChIKey of 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is NVMHXLWQTVRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-6-5-7-21(19(18)2)28-15-13-27(14-16-28)12-3-4-17-30-23-11-9-20-8-10-22(29)25-24(20)26-23/h5-7,9,11H,3-4,8,10,12-17H2,1-2H3,(H,25,26,29).
What are the key properties of 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).