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[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

C29H30N4O2 — CID 110150380

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1
InChIInChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3
InChIKeyBYMXIOHGLQQUGS-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.35
Rot. Bonds7

About [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110150380) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110150380
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1
InChIInChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3
InChIKeyBYMXIOHGLQQUGS-UHFFFAOYSA-N
XLogP5.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 110150380) is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1.
What is the InChIKey of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BYMXIOHGLQQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3.
What are the key properties of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110150380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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