1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone

C31H42N4O2 — CID 118613689

IUPAC1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone
SMILESCCc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C31H42N4O2/c1-5-24-18-27-28(19-25(24)8-7-23-10-16-35(17-11-23)22(3)36)33-30(31-9-6-21(2)37-31)20-29(27)32-26-12-14-34(4)15-13-26/h6,9,18-20,23,26H,5,7-8,10-17H2,1-4H3,(H,32,33)
InChIKeyJCUOKAWEDBZGCN-UHFFFAOYSA-N
MW502.70 g/mol
LogP6.06
Rot. Bonds7

About 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 118613689) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID118613689
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC Name1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone
SMILESCCc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C31H42N4O2/c1-5-24-18-27-28(19-25(24)8-7-23-10-16-35(17-11-23)22(3)36)33-30(31-9-6-21(2)37-31)20-29(27)32-26-12-14-34(4)15-13-26/h6,9,18-20,23,26H,5,7-8,10-17H2,1-4H3,(H,32,33)
InChIKeyJCUOKAWEDBZGCN-UHFFFAOYSA-N
XLogP6.06
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 3372555
N-cyclohexyl-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 3617885
[2-(Furan-2-yl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 4447963
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine
CID 118607373
2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613614
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine
CID 129072681
2-(5-Methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]-7-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carbonitrile
CID 129072695
2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-piperidin-1-ylpropoxy)quinolin-4-amine
CID 129085365
2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine
CID 129085368

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone (CID 118613689) is 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone is CCc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1CCC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is JCUOKAWEDBZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O2/c1-5-24-18-27-28(19-25(24)8-7-23-10-16-35(17-11-23)22(3)36)33-30(31-9-6-21(2)37-31)20-29(27)32-26-12-14-34(4)15-13-26/h6,9,18-20,23,26H,5,7-8,10-17H2,1-4H3,(H,32,33).
What are the key properties of 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 502.70 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-ethyl-2-(5-methylfuran-2-yl)-4-[(1-methylpiperidin-4-yl)amino]quinolin-7-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118613689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).