7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C23H28Cl2N4O — CID 21073872

IUPAC7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1
InChIInChI=1S/C23H28Cl2N4O/c24-19-6-4-7-20(22(19)25)29-15-13-28(14-16-29)12-3-1-2-5-18-10-8-17-9-11-21(30)27-23(17)26-18/h4,6-8,10H,1-3,5,9,11-16H2,(H,26,27,30)
InChIKeyPPTRNJJUIFECMW-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.81
Rot. Bonds7

About 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073872) has the molecular formula C23H28Cl2N4O and a molecular weight of 447.41 g/mol. Its IUPAC name is 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073872
Molecular FormulaC23H28Cl2N4O
Molecular Weight447.41 g/mol
Exact Mass446.16
IUPAC Name7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1
InChIInChI=1S/C23H28Cl2N4O/c24-19-6-4-7-20(22(19)25)29-15-13-28(14-16-29)12-3-1-2-5-18-10-8-17-9-11-21(30)27-23(17)26-18/h4,6-8,10H,1-3,5,9,11-16H2,(H,26,27,30)
InChIKeyPPTRNJJUIFECMW-UHFFFAOYSA-N
XLogP4.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073872) is 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(CCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1.
What is the InChIKey of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is PPTRNJJUIFECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O/c24-19-6-4-7-20(22(19)25)29-15-13-28(14-16-29)12-3-1-2-5-18-10-8-17-9-11-21(30)27-23(17)26-18/h4,6-8,10H,1-3,5,9,11-16H2,(H,26,27,30).
What are the key properties of 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 447.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).