7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one

C24H30Cl2N4O3 — CID 21073544

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1O
InChIInChI=1S/C24H30Cl2N4O3/c1-24(2)21(31)16-8-9-19(27-22(16)28-23(24)32)33-15-4-3-10-29-11-13-30(14-12-29)18-7-5-6-17(25)20(18)26/h5-9,21,31H,3-4,10-15H2,1-2H3,(H,27,28,32)
InChIKeyPALFINKJYQPFGG-UHFFFAOYSA-N
MW493.44 g/mol
LogP4.38
Rot. Bonds7

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 21073544) has the molecular formula C24H30Cl2N4O3 and a molecular weight of 493.44 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
PubChem CID21073544
Molecular FormulaC24H30Cl2N4O3
Molecular Weight493.44 g/mol
Exact Mass492.17
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1O
InChIInChI=1S/C24H30Cl2N4O3/c1-24(2)21(31)16-8-9-19(27-22(16)28-23(24)32)33-15-4-3-10-29-11-13-30(14-12-29)18-7-5-6-17(25)20(18)26/h5-9,21,31H,3-4,10-15H2,1-2H3,(H,27,28,32)
InChIKeyPALFINKJYQPFGG-UHFFFAOYSA-N
XLogP4.38
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 21073534
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 122694518
4,4-dimethyl-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 21073347
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
7-[4-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
acetic acid;7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11577060
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
[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]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 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) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one is CC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1O.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is PALFINKJYQPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3/c1-24(2)21(31)16-8-9-19(27-22(16)28-23(24)32)33-15-4-3-10-29-11-13-30(14-12-29)18-7-5-6-17(25)20(18)26/h5-9,21,31H,3-4,10-15H2,1-2H3,(H,27,28,32).
What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one?
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 493.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-4-hydroxy-3,3-dimethyl-1,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).