8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline

C24H25N3OS — CID 122172692

IUPAC8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
SMILESc1cnc2c(OCCCN3CCN(c4cccc5sccc45)CC3)cccc2c1
InChIInChI=1S/C24H25N3OS/c1-5-19-6-3-11-25-24(19)22(8-1)28-17-4-12-26-13-15-27(16-14-26)21-7-2-9-23-20(21)10-18-29-23/h1-3,5-11,18H,4,12-17H2
InChIKeyHPWPNAWXBNRTHL-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.04
Rot. Bonds6

About 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline

8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline (PubChem CID 122172692) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline.

Molecular Properties

Compound Name8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
PubChem CID122172692
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
SMILESc1cnc2c(OCCCN3CCN(c4cccc5sccc45)CC3)cccc2c1
InChIInChI=1S/C24H25N3OS/c1-5-19-6-3-11-25-24(19)22(8-1)28-17-4-12-26-13-15-27(16-14-26)21-7-2-9-23-20(21)10-18-29-23/h1-3,5-11,18H,4,12-17H2
InChIKeyHPWPNAWXBNRTHL-UHFFFAOYSA-N
XLogP5.04
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Foliglurax
CID 135565465
3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
6-{5-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646998
8-Ethoxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 3241187
(NE)-N-[6-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 136415539
(NE)-N-[6-(2-morpholin-4-ylethoxy)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 136415554
8-Ethoxy-5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 3239518
8-Ethoxy-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylquinoline
CID 4342249
(NE)-N-[6-(1-pyridin-3-ylazetidin-3-yl)oxy-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 137660178
2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 2094807
6-(3-Morpholinopropyl)-2-(thieno[3,2-c]pyridin-6-yl)-4H-chromen-4-one oxime
CID 137222229
8-methoxy-N-(3-methyl-1-benzothiophen-2-yl)-N-(4,4,4-trifluorobutyl)quinoline-5-sulfonamide
CID 66907432

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline?
The IUPAC name of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline (CID 122172692) is 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline.
What is the SMILES notation for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline?
The canonical SMILES for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline is c1cnc2c(OCCCN3CCN(c4cccc5sccc45)CC3)cccc2c1.
What is the InChIKey of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline?
The InChIKey is HPWPNAWXBNRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-5-19-6-3-11-25-24(19)22(8-1)28-17-4-12-26-13-15-27(16-14-26)21-7-2-9-23-20(21)10-18-29-23/h1-3,5-11,18H,4,12-17H2.
What are the key properties of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline?
8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline has a molecular weight of 403.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline is sourced from PubChem (CID 122172692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).