7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one

C22H24Cl2N4O2 — CID 21073533

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29)
InChIKeyIXCOCXDWNZNCFL-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.21
Rot. Bonds7

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one (PubChem CID 21073533) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
PubChem CID21073533
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29)
InChIKeyIXCOCXDWNZNCFL-UHFFFAOYSA-N
XLogP4.21
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.21
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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Related Compounds

7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
7-[(Z)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enoxy]-1H-quinolin-2-one
CID 11775114
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 21073534
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
7-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-3-enoxy]-1H-quinolin-2-one
CID 143635724
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
CID 21073544
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597365
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] N-tert-butylcarbamate
CID 66810503

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one (CID 21073533) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one is O=c1ccc2cnc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one?
The InChIKey is IXCOCXDWNZNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29).
What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one?
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one has a molecular weight of 447.37 g/mol, XLogP of 4.21, 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-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 21073533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).