3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride

C24H31ClN4O2 — CID 67098449

IUPAC3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride
SMILESCOc1cccn(CCCCN2CCN(c3cccc4nc(C)ccc34)CC2)c1=O.Cl
InChIInChI=1S/C24H30N4O2.ClH/c1-19-10-11-20-21(25-19)7-5-8-22(20)27-17-15-26(16-18-27)12-3-4-13-28-14-6-9-23(30-2)24(28)29;/h5-11,14H,3-4,12-13,15-18H2,1-2H3;1H
InChIKeyJCVFCNQSTXIVJK-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.74
Rot. Bonds7

About 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride

3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride (PubChem CID 67098449) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride
PubChem CID67098449
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride
SMILESCOc1cccn(CCCCN2CCN(c3cccc4nc(C)ccc34)CC2)c1=O.Cl
InChIInChI=1S/C24H30N4O2.ClH/c1-19-10-11-20-21(25-19)7-5-8-22(20)27-17-15-26(16-18-27)12-3-4-13-28-14-6-9-23(30-2)24(28)29;/h5-11,14H,3-4,12-13,15-18H2,1-2H3;1H
InChIKeyJCVFCNQSTXIVJK-UHFFFAOYSA-N
XLogP3.74
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride
CID 57478376
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
ethyl 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]imidazo[1,5-a]quinoline-3-carboxylate;dihydrochloride
CID 66683244
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-propylcarbamic acid;dihydrochloride
CID 68869451
benzyl-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamic acid
CID 68868420
1,3-bis(4-fluorophenyl)-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;hydrochloride
CID 142758534
1-[4-(aminomethyl)phenyl]-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one;dihydrochloride
CID 174516347
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl] N-(2-methylpropyl)carbamate
CID 91385750
6-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-imidazo[5,1-c][1,4]benzoxazine;dihydrochloride
CID 66684910

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride?
The IUPAC name of 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride (CID 67098449) is 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride is COc1cccn(CCCCN2CCN(c3cccc4nc(C)ccc34)CC2)c1=O.Cl.
What is the InChIKey of 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride?
The InChIKey is JCVFCNQSTXIVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.ClH/c1-19-10-11-20-21(25-19)7-5-8-22(20)27-17-15-26(16-18-27)12-3-4-13-28-14-6-9-23(30-2)24(28)29;/h5-11,14H,3-4,12-13,15-18H2,1-2H3;1H.
What are the key properties of 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride?
3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride has a molecular weight of 442.99 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 67098449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).