8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide

C17H21N3O2 — CID 67293350

IUPAC8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3cccnc3c2CO)CC1
InChIInChI=1S/C17H21N3O2/c1-20-9-6-13(7-10-20)19-17(22)14-5-4-12-3-2-8-18-16(12)15(14)11-21/h2-5,8,13,21H,6-7,9-11H2,1H3,(H,19,22)
InChIKeyGZGBXSUKQURUMB-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.55
Rot. Bonds3

About 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide

8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide (PubChem CID 67293350) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide.

Molecular Properties

Compound Name8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
PubChem CID67293350
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
SMILESCN1CCC(NC(=O)c2ccc3cccnc3c2CO)CC1
InChIInChI=1S/C17H21N3O2/c1-20-9-6-13(7-10-20)19-17(22)14-5-4-12-3-2-8-18-16(12)15(14)11-21/h2-5,8,13,21H,6-7,9-11H2,1H3,(H,19,22)
InChIKeyGZGBXSUKQURUMB-UHFFFAOYSA-N
XLogP1.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052
N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
CID 86967936
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171661881
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
8-[2-(cyclopentylamino)-2-oxoethoxy]-N-ethylquinoline-7-carboxamide
CID 126816346
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
CID 107022653
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The IUPAC name of 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide (CID 67293350) is 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide.
What is the SMILES notation for 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The canonical SMILES for 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide is CN1CCC(NC(=O)c2ccc3cccnc3c2CO)CC1.
What is the InChIKey of 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The InChIKey is GZGBXSUKQURUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-9-6-13(7-10-20)19-17(22)14-5-4-12-3-2-8-18-16(12)15(14)11-21/h2-5,8,13,21H,6-7,9-11H2,1H3,(H,19,22).
What are the key properties of 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide is sourced from PubChem (CID 67293350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).