[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone

C25H24N4O — CID 137490340

IUPAC[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3ccc4nccc(C(=O)N5CCCCC5)c4c3)cc2)cn1
InChIInChI=1S/C25H24N4O/c1-28-17-21(16-27-28)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-26-24)25(30)29-13-3-2-4-14-29/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyBZUFBYZIWYZJCX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.93
Rot. Bonds3

About [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone

[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 137490340) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID137490340
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(-c3ccc4nccc(C(=O)N5CCCCC5)c4c3)cc2)cn1
InChIInChI=1S/C25H24N4O/c1-28-17-21(16-27-28)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-26-24)25(30)29-13-3-2-4-14-29/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyBZUFBYZIWYZJCX-UHFFFAOYSA-N
XLogP4.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone (CID 137490340) is [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone is Cn1cc(-c2ccc(-c3ccc4nccc(C(=O)N5CCCCC5)c4c3)cc2)cn1.
What is the InChIKey of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is BZUFBYZIWYZJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-28-17-21(16-27-28)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-26-24)25(30)29-13-3-2-4-14-29/h5-12,15-17H,2-4,13-14H2,1H3.
What are the key properties of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone?
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 137490340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).