3-phenyl-4-piperazin-1-ylcinnoline

C18H18N4 — CID 125470455

IUPAC3-phenyl-4-piperazin-1-ylcinnoline
SMILESc1ccc(-c2nnc3ccccc3c2N2CCNCC2)cc1
InChIInChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-18(22-12-10-19-11-13-22)15-8-4-5-9-16(15)20-21-17/h1-9,19H,10-13H2
InChIKeyFRECNDJYOBURQD-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.71
Rot. Bonds2

About 3-phenyl-4-piperazin-1-ylcinnoline

3-phenyl-4-piperazin-1-ylcinnoline (PubChem CID 125470455) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-phenyl-4-piperazin-1-ylcinnoline.

Molecular Properties

Compound Name3-phenyl-4-piperazin-1-ylcinnoline
PubChem CID125470455
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name3-phenyl-4-piperazin-1-ylcinnoline
SMILESc1ccc(-c2nnc3ccccc3c2N2CCNCC2)cc1
InChIInChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-18(22-12-10-19-11-13-22)15-8-4-5-9-16(15)20-21-17/h1-9,19H,10-13H2
InChIKeyFRECNDJYOBURQD-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-(2-(1-piperidinyl)ethyl)-4-quinolinamine
CID 2728458
N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
CID 10000434
1,2-Ethanediamine, N,N-dimethyl-N'-(2-phenyl-4-quinolinyl)-
CID 453048
4-(3,3-Diphenylpropylamino)cinnoline-3-carbonitrile
CID 449484
N-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 86032728
N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]propane-1,3-diamine
CID 10971463
N,N'-di(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
CID 2249548
N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 15272243
N',N'-dimethyl-N-[2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
CID 15272245
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 15272246
Acridine, 9,9'-ethylenediiminobis-
CID 42876
[4-(4-Methylpiperazin-1-yl)phenyl]-(2-methylquinolin-4-yl)-amine
CID 9923679

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-piperazin-1-ylcinnoline?
The IUPAC name of 3-phenyl-4-piperazin-1-ylcinnoline (CID 125470455) is 3-phenyl-4-piperazin-1-ylcinnoline.
What is the SMILES notation for 3-phenyl-4-piperazin-1-ylcinnoline?
The canonical SMILES for 3-phenyl-4-piperazin-1-ylcinnoline is c1ccc(-c2nnc3ccccc3c2N2CCNCC2)cc1.
What is the InChIKey of 3-phenyl-4-piperazin-1-ylcinnoline?
The InChIKey is FRECNDJYOBURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-18(22-12-10-19-11-13-22)15-8-4-5-9-16(15)20-21-17/h1-9,19H,10-13H2.
What are the key properties of 3-phenyl-4-piperazin-1-ylcinnoline?
3-phenyl-4-piperazin-1-ylcinnoline has a molecular weight of 290.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-piperazin-1-ylcinnoline is sourced from PubChem (CID 125470455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).