8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide

C18H22ClN3O2 — CID 74250935

IUPAC8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C18H22ClN3O2/c19-15-6-3-4-13-7-8-16(21-17(13)15)18(24)20-9-11-22-10-2-1-5-14(22)12-23/h3-4,6-8,14,23H,1-2,5,9-12H2,(H,20,24)
InChIKeyASBVUZWEVMVROQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.46
Rot. Bonds5

About 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide

8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide (PubChem CID 74250935) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
PubChem CID74250935
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C18H22ClN3O2/c19-15-6-3-4-13-7-8-16(21-17(13)15)18(24)20-9-11-22-10-2-1-5-14(22)12-23/h3-4,6-8,14,23H,1-2,5,9-12H2,(H,20,24)
InChIKeyASBVUZWEVMVROQ-UHFFFAOYSA-N
XLogP2.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
1-[(2-chloro-4-fluorophenyl)methyl]-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 45191567
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
2-(4-chloro-3-methylpyrazol-1-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 125175051

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide (CID 74250935) is 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide is O=C(NCCN1CCCCC1CO)c1ccc2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide?
The InChIKey is ASBVUZWEVMVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-6-3-4-13-7-8-16(21-17(13)15)18(24)20-9-11-22-10-2-1-5-14(22)12-23/h3-4,6-8,14,23H,1-2,5,9-12H2,(H,20,24).
What are the key properties of 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide?
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 74250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).