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

C23H29ClN4O2 — CID 21073584

IUPAC7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl
InChIInChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29)
InChIKeyINPZJTQIZICEOJ-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.91
Rot. Bonds7

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

7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073584) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073584
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl
InChIInChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29)
InChIKeyINPZJTQIZICEOJ-UHFFFAOYSA-N
XLogP3.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.91
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

Pf-00217830
CID 11697676
Unc9975
CID 56593482
7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11213062
7-(4-(4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11495769
7-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11554167
7-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11633739
7-(4-(4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 11647443
7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-1,8-naphthyridin-2(1H)-one
CID 11662306
7-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073563
7-(4-(4-(2-chloro-3-(trifluoromethyl)phenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073587
7-(4-(4-(2-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073606
7-(4-(4-(3-chloro-2-fluorophenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073656

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073584) is 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1cccc(N2CCN(CCCCOc3ccc4c(n3)NC(=O)CC4)CC2)c1Cl.
What is the InChIKey of 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is INPZJTQIZICEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-17-5-4-6-19(22(17)24)28-14-12-27(13-15-28)11-2-3-16-30-21-10-8-18-7-9-20(29)25-23(18)26-21/h4-6,8,10H,2-3,7,9,11-16H2,1H3,(H,25,26,29).
What are the key properties of 7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 428.96 g/mol, XLogP of 3.91, 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-chloro-3-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).