9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one

C27H25N3O4 — CID 10527744

IUPAC9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3c(OCCCN3CCN(c4cccc5cccnc45)CC3)c2o1
InChIInChI=1S/C27H25N3O4/c31-23-8-7-20-18-21-9-17-33-25(21)27(26(20)34-23)32-16-3-11-29-12-14-30(15-13-29)22-6-1-4-19-5-2-10-28-24(19)22/h1-2,4-10,17-18H,3,11-16H2
InChIKeyHCCGPYXMOCMTTE-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.68
Rot. Bonds6

About 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one

9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one (PubChem CID 10527744) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
PubChem CID10527744
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3c(OCCCN3CCN(c4cccc5cccnc45)CC3)c2o1
InChIInChI=1S/C27H25N3O4/c31-23-8-7-20-18-21-9-17-33-25(21)27(26(20)34-23)32-16-3-11-29-12-14-30(15-13-29)22-6-1-4-19-5-2-10-28-24(19)22/h1-2,4-10,17-18H,3,11-16H2
InChIKeyHCCGPYXMOCMTTE-UHFFFAOYSA-N
XLogP4.68
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 23176302
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
CID 142681677
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
9-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 91885198
7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
CID 10298197
8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
CID 10895059
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one (CID 10527744) is 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one is O=c1ccc2cc3ccoc3c(OCCCN3CCN(c4cccc5cccnc45)CC3)c2o1.
What is the InChIKey of 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one?
The InChIKey is HCCGPYXMOCMTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c31-23-8-7-20-18-21-9-17-33-25(21)27(26(20)34-23)32-16-3-11-29-12-14-30(15-13-29)22-6-1-4-19-5-2-10-28-24(19)22/h1-2,4-10,17-18H,3,11-16H2.
What are the key properties of 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one?
9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one has a molecular weight of 455.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 10527744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).