(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C26H25N5O — CID 56537200

IUPAC(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)c(C)nc2c1
InChIInChI=1S/C26H25N5O/c1-18-8-9-21-17-22(19(2)28-23(21)16-18)26(32)31-14-12-30(13-15-31)24-10-11-27-25(29-24)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3
InChIKeyPBMTXEROPBDJAA-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.27
Rot. Bonds3

About (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56537200) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56537200
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)c(C)nc2c1
InChIInChI=1S/C26H25N5O/c1-18-8-9-21-17-22(19(2)28-23(21)16-18)26(32)31-14-12-30(13-15-31)24-10-11-27-25(29-24)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3
InChIKeyPBMTXEROPBDJAA-UHFFFAOYSA-N
XLogP4.27
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56527948
(2-chloro-4,5-difluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537354
3,4-dimethyl-5-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 75463327
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
[4-[ethyl(methyl)amino]phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537250
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537558
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537119
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
[4-(ethylsulfanylmethyl)phenyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537305
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 42802499
2-(2-methylphenyl)sulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537337

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56537200) is (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ccc2cc(C(=O)N3CCN(c4ccnc(-c5ccccc5)n4)CC3)c(C)nc2c1.
What is the InChIKey of (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PBMTXEROPBDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-18-8-9-21-17-22(19(2)28-23(21)16-18)26(32)31-14-12-30(13-15-31)24-10-11-27-25(29-24)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylquinolin-3-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56537200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).