N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide

C24H32N6O — CID 86895240

IUPACN-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CN1CCN(CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C24H32N6O/c1-18-22(19(2)28(3)27-18)16-29-12-14-30(15-13-29)17-23(31)25-11-9-21-7-4-6-20-8-5-10-26-24(20)21/h4-8,10H,9,11-17H2,1-3H3,(H,25,31)
InChIKeyUAYLDZZKAHGFJL-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.06
Rot. Bonds7

About N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide

N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 86895240) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID86895240
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CN1CCN(CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C24H32N6O/c1-18-22(19(2)28(3)27-18)16-29-12-14-30(15-13-29)17-23(31)25-11-9-21-7-4-6-20-8-5-10-26-24(20)21/h4-8,10H,9,11-17H2,1-3H3,(H,25,31)
InChIKeyUAYLDZZKAHGFJL-UHFFFAOYSA-N
XLogP2.06
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86894891
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
(2S)-2-methyl-N-(quinolin-8-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065144
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 75384041
2-quinolin-8-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017959
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
CID 86881963
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 86895240) is N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide is Cc1nn(C)c(C)c1CN1CCN(CC(=O)NCCc2cccc3cccnc23)CC1.
What is the InChIKey of N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is UAYLDZZKAHGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-18-22(19(2)28(3)27-18)16-29-12-14-30(15-13-29)17-23(31)25-11-9-21-7-4-6-20-8-5-10-26-24(20)21/h4-8,10H,9,11-17H2,1-3H3,(H,25,31).
What are the key properties of N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86895240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).