1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione

C27H29ClN4O2 — CID 86576849

IUPAC1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C27H29ClN4O2/c1-19-5-8-25-22(17-19)26(33)27(34)32(25)12-4-2-3-11-30-13-15-31(16-14-30)24-9-10-29-23-18-20(28)6-7-21(23)24/h5-10,17-18H,2-4,11-16H2,1H3
InChIKeyGXGWAXCTVRGDPU-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.72
Rot. Bonds7

About 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione

1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione (PubChem CID 86576849) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione
PubChem CID86576849
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC Name1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C27H29ClN4O2/c1-19-5-8-25-22(17-19)26(33)27(34)32(25)12-4-2-3-11-30-13-15-31(16-14-30)24-9-10-29-23-18-20(28)6-7-21(23)24/h5-10,17-18H,2-4,11-16H2,1H3
InChIKeyGXGWAXCTVRGDPU-UHFFFAOYSA-N
XLogP4.72
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione with MolForge

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Related Compounds

7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
3-[5-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]pentoxy]-2,4-dimethyl-2H-thiophen-5-one
CID 54577598
4-[4-[4-(5-azidopentoxy)butyl]piperazin-1-yl]-7-chloroquinoline
CID 172719265
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
1-(3-aminopropyl)-5-methylindole-2,3-dione
CID 84622797
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione (CID 86576849) is 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2CCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione?
The InChIKey is GXGWAXCTVRGDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-19-5-8-25-22(17-19)26(33)27(34)32(25)12-4-2-3-11-30-13-15-31(16-14-30)24-9-10-29-23-18-20(28)6-7-21(23)24/h5-10,17-18H,2-4,11-16H2,1H3.
What are the key properties of 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione?
1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione has a molecular weight of 477.01 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]pentyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 86576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).