[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone

C26H24N4O2 — CID 46288051

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nnc4ccccc34)CC2)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)29-14-16-30(17-15-29)26(31)24-22-12-5-6-13-23(22)27-28-25(24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyAMHHFUSHEAJVTE-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.27
Rot. Bonds4

About [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone (PubChem CID 46288051) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
PubChem CID46288051
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nnc4ccccc34)CC2)c1
InChIInChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)29-14-16-30(17-15-29)26(31)24-22-12-5-6-13-23(22)27-28-25(24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyAMHHFUSHEAJVTE-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 11429878
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] hydrogen carbonate
CID 11304893
[4-(3-methoxyphenyl)piperazin-1-yl]-(9-methyl-1-phenylpyrido[3,4-b]indol-3-yl)methanone
CID 118727430
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone (CID 46288051) is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone is COc1cccc(N2CCN(C(=O)c3c(-c4ccccc4)nnc4ccccc34)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone?
The InChIKey is AMHHFUSHEAJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-21-11-7-10-20(18-21)29-14-16-30(17-15-29)26(31)24-22-12-5-6-13-23(22)27-28-25(24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone is sourced from PubChem (CID 46288051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).