7-methoxy-2-phenyl-4-piperazin-1-ylquinoline

C20H21N3O — CID 121237208

IUPAC7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
SMILESCOc1ccc2c(N3CCNCC3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21N3O/c1-24-16-7-8-17-19(13-16)22-18(15-5-3-2-4-6-15)14-20(17)23-11-9-21-10-12-23/h2-8,13-14,21H,9-12H2,1H3
InChIKeyDXVWFGZIDDHBAD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.32
Rot. Bonds3

About 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline

7-methoxy-2-phenyl-4-piperazin-1-ylquinoline (PubChem CID 121237208) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
PubChem CID121237208
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
SMILESCOc1ccc2c(N3CCNCC3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21N3O/c1-24-16-7-8-17-19(13-16)22-18(15-5-3-2-4-6-15)14-20(17)23-11-9-21-10-12-23/h2-8,13-14,21H,9-12H2,1H3
InChIKeyDXVWFGZIDDHBAD-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
7-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237211
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
4-tert-butyl-7-methoxy-2-phenylquinoline
CID 59716951
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
N-ethyl-7-methoxy-2-phenylquinolin-4-amine
CID 144979819
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531
7-methoxy-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110434229
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline?
The IUPAC name of 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline (CID 121237208) is 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline is COc1ccc2c(N3CCNCC3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline?
The InChIKey is DXVWFGZIDDHBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-16-7-8-17-19(13-16)22-18(15-5-3-2-4-6-15)14-20(17)23-11-9-21-10-12-23/h2-8,13-14,21H,9-12H2,1H3.
What are the key properties of 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline?
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline has a molecular weight of 319.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121237208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).