3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide

C28H28N4O2 — CID 157127954

IUPAC3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C28H28N4O2/c33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23/h4-14,19-20H,1-3,15-18H2,(H,31,33)
InChIKeyCBRFBNDNFAFNCP-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.41
Rot. Bonds7

About 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide

3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide (PubChem CID 157127954) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
PubChem CID157127954
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C28H28N4O2/c33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23/h4-14,19-20H,1-3,15-18H2,(H,31,33)
InChIKeyCBRFBNDNFAFNCP-UHFFFAOYSA-N
XLogP5.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The IUPAC name of 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide (CID 157127954) is 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide.
What is the SMILES notation for 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The canonical SMILES for 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide is O=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cccc(OCCN2CCCCC2)c1.
What is the InChIKey of 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
The InChIKey is CBRFBNDNFAFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c33-28(22-8-4-10-24(19-22)34-18-17-32-15-2-1-3-16-32)31-26-11-5-7-21-12-13-25(30-27(21)26)23-9-6-14-29-20-23/h4-14,19-20H,1-3,15-18H2,(H,31,33).
What are the key properties of 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide?
3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide is sourced from PubChem (CID 157127954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).