[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone

C24H32N4O2 — CID 14129268

IUPAC[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
SMILESCN1CCN(CCCCOc2cccc3c2N(C(=O)c2cccnc2)CCC3)CC1
InChIInChI=1S/C24H32N4O2/c1-26-14-16-27(17-15-26)12-2-3-18-30-22-10-4-7-20-9-6-13-28(23(20)22)24(29)21-8-5-11-25-19-21/h4-5,7-8,10-11,19H,2-3,6,9,12-18H2,1H3
InChIKeyLWCLWYCPTSTLOM-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.08
Rot. Bonds7

About [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone

[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone (PubChem CID 14129268) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
PubChem CID14129268
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
SMILESCN1CCN(CCCCOc2cccc3c2N(C(=O)c2cccnc2)CCC3)CC1
InChIInChI=1S/C24H32N4O2/c1-26-14-16-27(17-15-26)12-2-3-18-30-22-10-4-7-20-9-6-13-28(23(20)22)24(29)21-8-5-11-25-19-21/h4-5,7-8,10-11,19H,2-3,6,9,12-18H2,1H3
InChIKeyLWCLWYCPTSTLOM-UHFFFAOYSA-N
XLogP3.08
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

(1-methyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl)-pyridin-3-ylmethanone
CID 154848941
N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
CID 16764481
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 60581548
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl pyridine-3-carboxylate
CID 6434550
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 48575972

Frequently Asked Questions

What is the IUPAC name of [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone (CID 14129268) is [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone is CN1CCN(CCCCOc2cccc3c2N(C(=O)c2cccnc2)CCC3)CC1.
What is the InChIKey of [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LWCLWYCPTSTLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-26-14-16-27(17-15-26)12-2-3-18-30-22-10-4-7-20-9-6-13-28(23(20)22)24(29)21-8-5-11-25-19-21/h4-5,7-8,10-11,19H,2-3,6,9,12-18H2,1H3.
What are the key properties of [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone?
[8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 408.55 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 14129268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).