(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone

C22H24N4O — CID 46287905

IUPAC(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-3-25-12-14-26(15-13-25)22(27)20-18-6-4-5-7-19(18)23-24-21(20)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyLEZODLUIBDNYAX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.38
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone (PubChem CID 46287905) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
PubChem CID46287905
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-3-25-12-14-26(15-13-25)22(27)20-18-6-4-5-7-19(18)23-24-21(20)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyLEZODLUIBDNYAX-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
N-[4-[[4-(3-phenylcinnoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 6413339
ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 46287929
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287873
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
3-(4-fluorophenyl)cinnoline-4-carboxylic acid
CID 125493041

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone (CID 46287905) is (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone is CCN1CCN(C(=O)c2c(-c3ccc(C)cc3)nnc3ccccc23)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone?
The InChIKey is LEZODLUIBDNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-25-12-14-26(15-13-25)22(27)20-18-6-4-5-7-19(18)23-24-21(20)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone is sourced from PubChem (CID 46287905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).