[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol

C24H24N4O — CID 56704240

IUPAC[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C24H24N4O/c29-16-20-14-19-8-4-5-9-22(19)26-24(20)28-12-10-18(11-13-28)23-21(15-25-27-23)17-6-2-1-3-7-17/h1-9,14-15,18,29H,10-13,16H2,(H,25,27)
InChIKeyKYPHHNXJSXTLNL-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.50
Rot. Bonds4

About [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol

[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol (PubChem CID 56704240) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
PubChem CID56704240
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC(c2[nH]ncc2-c2ccccc2)CC1
InChIInChI=1S/C24H24N4O/c29-16-20-14-19-8-4-5-9-22(19)26-24(20)28-12-10-18(11-13-28)23-21(15-25-27-23)17-6-2-1-3-7-17/h1-9,14-15,18,29H,10-13,16H2,(H,25,27)
InChIKeyKYPHHNXJSXTLNL-UHFFFAOYSA-N
XLogP4.50
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol (CID 56704240) is [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol is OCc1cc2ccccc2nc1N1CCC(c2[nH]ncc2-c2ccccc2)CC1.
What is the InChIKey of [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The InChIKey is KYPHHNXJSXTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-16-20-14-19-8-4-5-9-22(19)26-24(20)28-12-10-18(11-13-28)23-21(15-25-27-23)17-6-2-1-3-7-17/h1-9,14-15,18,29H,10-13,16H2,(H,25,27).
What are the key properties of [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol?
[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol has a molecular weight of 384.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 56704240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).