7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

C24H28Cl2N4O3 — CID 21073534

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1=O
InChIInChI=1S/C24H28Cl2N4O3/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/h5-9H,3-4,10-15H2,1-2H3,(H,27,28,32)
InChIKeyKUAPXHPSELIIDA-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.53
Rot. Bonds7

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (PubChem CID 21073534) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
PubChem CID21073534
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1=O
InChIInChI=1S/C24H28Cl2N4O3/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/h5-9H,3-4,10-15H2,1-2H3,(H,27,28,32)
InChIKeyKUAPXHPSELIIDA-UHFFFAOYSA-N
XLogP4.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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
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
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
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
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
(3S)-3-[7-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylpiperidine-2,6-dione
CID 162769888
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[4-[4-(2-ethylphenyl)piperazin-1-yl]butoxy]-4,4-dimethyl-2,3-dihydro-1H-1,8-naphthyridine
CID 150335579

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (CID 21073534) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is CC1(C)C(=O)Nc2nc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C1=O.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is KUAPXHPSELIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/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/h5-9H,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]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 491.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 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]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 21073534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).