4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile

C25H24N4O2 — CID 118407227

IUPAC4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
SMILESCOc1c(N2CCN(C(=O)C3CC3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C25H24N4O2/c1-31-24-21-4-2-3-20(18-7-5-17(15-26)6-8-18)23(21)27-16-22(24)28-11-13-29(14-12-28)25(30)19-9-10-19/h2-8,16,19H,9-14H2,1H3
InChIKeyZBTGBHIFUOKBAA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.84
Rot. Bonds4

About 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile

4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile (PubChem CID 118407227) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
PubChem CID118407227
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
SMILESCOc1c(N2CCN(C(=O)C3CC3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C25H24N4O2/c1-31-24-21-4-2-3-20(18-7-5-17(15-26)6-8-18)23(21)27-16-22(24)28-11-13-29(14-12-28)25(30)19-9-10-19/h2-8,16,19H,9-14H2,1H3
InChIKeyZBTGBHIFUOKBAA-UHFFFAOYSA-N
XLogP3.84
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-methoxy-3-[4-(2-pyridin-4-ylacetyl)piperazin-1-yl]quinolin-8-yl]benzonitrile
CID 118407226
4-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407401
4-[3-[4-(5-tert-butyl-2-pyridinyl)-3-oxopiperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407498
4-[3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxopiperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407231
4-[3-[6-[3,5-dimethyl-4-(2-oxobutanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 144929684
4-[3-[6-[(3R,5S)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518129
4-[3-[6-[(3R)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518125
4-[4-cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile
CID 118407418
1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea
CID 126518445
4-[3-[4-[4-(1H-imidazole-2-carbonyl)-3,5-dimethylpiperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126517970
N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 126509856
4-[3-[4-[2-(2-hydroxypropan-2-yl)-6-methylmorpholin-4-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518389

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile?
The IUPAC name of 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile (CID 118407227) is 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile?
The canonical SMILES for 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile is COc1c(N2CCN(C(=O)C3CC3)CC2)cnc2c(-c3ccc(C#N)cc3)cccc12.
What is the InChIKey of 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile?
The InChIKey is ZBTGBHIFUOKBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-24-21-4-2-3-20(18-7-5-17(15-26)6-8-18)23(21)27-16-22(24)28-11-13-29(14-12-28)25(30)19-9-10-19/h2-8,16,19H,9-14H2,1H3.
What are the key properties of 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile?
4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile has a molecular weight of 412.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile is sourced from PubChem (CID 118407227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).