2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide

C22H24N4O2 — CID 24985739

IUPAC2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Nc2cccc(O)c2)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C22H24N4O2/c27-20-5-1-4-18(14-20)24-17-8-11-26(12-9-17)15-22(28)25-19-6-7-21-16(13-19)3-2-10-23-21/h1-7,10,13-14,17,24,27H,8-9,11-12,15H2,(H,25,28)
InChIKeyJTUMNLUVGOMPQE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide

2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 24985739) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID24985739
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Nc2cccc(O)c2)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C22H24N4O2/c27-20-5-1-4-18(14-20)24-17-8-11-26(12-9-17)15-22(28)25-19-6-7-21-16(13-19)3-2-10-23-21/h1-7,10,13-14,17,24,27H,8-9,11-12,15H2,(H,25,28)
InChIKeyJTUMNLUVGOMPQE-UHFFFAOYSA-N
XLogP3.46
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 46980899
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-(thian-4-yl)quinolin-6-amine
CID 62635274
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
4-(4-phenylpiperazin-1-yl)-N-quinolin-6-ylbutanamide
CID 45136832
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
1-[(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)methyl]-3-quinolin-6-ylurea
CID 53277010
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate
CID 21438217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide (CID 24985739) is 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide is O=C(CN1CCC(Nc2cccc(O)c2)CC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is JTUMNLUVGOMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20-5-1-4-18(14-20)24-17-8-11-26(12-9-17)15-22(28)25-19-6-7-21-16(13-19)3-2-10-23-21/h1-7,10,13-14,17,24,27H,8-9,11-12,15H2,(H,25,28).
What are the key properties of 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 376.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 24985739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).