(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

C26H24N4O2 — CID 110149381

IUPAC(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ncccn2)c1)N1CCCC(Cc2cccc3ncccc23)C1
InChIInChI=1S/C26H24N4O2/c31-25(21-8-1-9-22(17-21)32-26-28-13-5-14-29-26)30-15-4-6-19(18-30)16-20-7-2-11-24-23(20)10-3-12-27-24/h1-3,5,7-14,17,19H,4,6,15-16,18H2
InChIKeyPRSMSDTZXCABQT-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.91
Rot. Bonds5

About (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110149381) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110149381
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Oc2ncccn2)c1)N1CCCC(Cc2cccc3ncccc23)C1
InChIInChI=1S/C26H24N4O2/c31-25(21-8-1-9-22(17-21)32-26-28-13-5-14-29-26)30-15-4-6-19(18-30)16-20-7-2-11-24-23(20)10-3-12-27-24/h1-3,5,7-14,17,19H,4,6,15-16,18H2
InChIKeyPRSMSDTZXCABQT-UHFFFAOYSA-N
XLogP4.91
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
1-[2-[3-[3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773007
[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149400
1-[2-[3-[4-(quinolin-4-ylmethyl)azepane-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110150268
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
1-[2-[2-[(3R)-3-(quinolin-5-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458474

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 110149381) is (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccc(Oc2ncccn2)c1)N1CCCC(Cc2cccc3ncccc23)C1.
What is the InChIKey of (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PRSMSDTZXCABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25(21-8-1-9-22(17-21)32-26-28-13-5-14-29-26)30-15-4-6-19(18-30)16-20-7-2-11-24-23(20)10-3-12-27-24/h1-3,5,7-14,17,19H,4,6,15-16,18H2.
What are the key properties of (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110149381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).