N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide

C20H27N3O2 — CID 139188853

IUPACN-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2ccc3cccc(O)c3n2)CC1
InChIInChI=1S/C20H27N3O2/c1-2-3-11-23-12-9-15(10-13-23)14-21-20(25)17-8-7-16-5-4-6-18(24)19(16)22-17/h4-8,15,24H,2-3,9-14H2,1H3,(H,21,25)
InChIKeyYUVZTBCCLLNZBN-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.18
Rot. Bonds6

About N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide

N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide (PubChem CID 139188853) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide
PubChem CID139188853
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2ccc3cccc(O)c3n2)CC1
InChIInChI=1S/C20H27N3O2/c1-2-3-11-23-12-9-15(10-13-23)14-21-20(25)17-8-7-16-5-4-6-18(24)19(16)22-17/h4-8,15,24H,2-3,9-14H2,1H3,(H,21,25)
InChIKeyYUVZTBCCLLNZBN-UHFFFAOYSA-N
XLogP3.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide?
The IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide (CID 139188853) is N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide?
The canonical SMILES for N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide is CCCCN1CCC(CNC(=O)c2ccc3cccc(O)c3n2)CC1.
What is the InChIKey of N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide?
The InChIKey is YUVZTBCCLLNZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-3-11-23-12-9-15(10-13-23)14-21-20(25)17-8-7-16-5-4-6-18(24)19(16)22-17/h4-8,15,24H,2-3,9-14H2,1H3,(H,21,25).
What are the key properties of N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide?
N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide is sourced from PubChem (CID 139188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).