2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide

C21H30N4O2 — CID 70991134

IUPAC2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(N2CCC(CC(O)CN(C)C)CC2)nc2ccccc12
InChIInChI=1S/C21H30N4O2/c1-22-21(27)18-13-20(23-19-7-5-4-6-17(18)19)25-10-8-15(9-11-25)12-16(26)14-24(2)3/h4-7,13,15-16,26H,8-12,14H2,1-3H3,(H,22,27)
InChIKeyKLUFQIBSDZCUBT-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide

2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide (PubChem CID 70991134) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide
PubChem CID70991134
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1cc(N2CCC(CC(O)CN(C)C)CC2)nc2ccccc12
InChIInChI=1S/C21H30N4O2/c1-22-21(27)18-13-20(23-19-7-5-4-6-17(18)19)25-10-8-15(9-11-25)12-16(26)14-24(2)3/h4-7,13,15-16,26H,8-12,14H2,1-3H3,(H,22,27)
InChIKeyKLUFQIBSDZCUBT-UHFFFAOYSA-N
XLogP2.12
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide (CID 70991134) is 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1cc(N2CCC(CC(O)CN(C)C)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is KLUFQIBSDZCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22-21(27)18-13-20(23-19-7-5-4-6-17(18)19)25-10-8-15(9-11-25)12-16(26)14-24(2)3/h4-7,13,15-16,26H,8-12,14H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide?
2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)-2-hydroxypropyl]piperidin-1-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 70991134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).