N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide

C29H36N4O2 — CID 46180022

IUPACN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
SMILESCCCN(C(=O)CN1CCN(c2ccnc3ccccc23)CC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C29H36N4O2/c1-3-15-33(23-11-12-24-22(20-23)7-6-10-28(24)35-2)29(34)21-31-16-18-32(19-17-31)27-13-14-30-26-9-5-4-8-25(26)27/h4-10,13-14,23H,3,11-12,15-21H2,1-2H3
InChIKeyJMYHHJAYQZVVNL-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.16
Rot. Bonds7

About N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide

N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide (PubChem CID 46180022) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
PubChem CID46180022
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
SMILESCCCN(C(=O)CN1CCN(c2ccnc3ccccc23)CC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C29H36N4O2/c1-3-15-33(23-11-12-24-22(20-23)7-6-10-28(24)35-2)29(34)21-31-16-18-32(19-17-31)27-13-14-30-26-9-5-4-8-25(26)27/h4-10,13-14,23H,3,11-12,15-21H2,1-2H3
InChIKeyJMYHHJAYQZVVNL-UHFFFAOYSA-N
XLogP4.16
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
CID 45140375
tert-butyl 4-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylate
CID 140960037
3-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylic acid
CID 137460105
2-[4-[2-(4-quinolin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18924087
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
methane;5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylacetamide;sulfane;triiodovanadium
CID 162016290
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906072
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide (CID 46180022) is N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide is CCCN(C(=O)CN1CCN(c2ccnc3ccccc23)CC1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is JMYHHJAYQZVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-3-15-33(23-11-12-24-22(20-23)7-6-10-28(24)35-2)29(34)21-31-16-18-32(19-17-31)27-13-14-30-26-9-5-4-8-25(26)27/h4-10,13-14,23H,3,11-12,15-21H2,1-2H3.
What are the key properties of N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 472.63 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propyl-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 46180022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).