7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride

C16H20Cl3N3O — CID 119442428

IUPAC7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-20(13-6-8-18-9-7-13)16(21)14-5-3-11-2-4-12(17)10-15(11)19-14;;/h2-5,10,13,18H,6-9H2,1H3;2*1H
InChIKeySIRSYSBEQDENDQ-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.56
Rot. Bonds2

About 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride

7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride (PubChem CID 119442428) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
PubChem CID119442428
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC Name7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-20(13-6-8-18-9-7-13)16(21)14-5-3-11-2-4-12(17)10-15(11)19-14;;/h2-5,10,13,18H,6-9H2,1H3;2*1H
InChIKeySIRSYSBEQDENDQ-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride?
The IUPAC name of 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride (CID 119442428) is 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride.
What is the SMILES notation for 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride?
The canonical SMILES for 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride is CN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride?
The InChIKey is SIRSYSBEQDENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.2ClH/c1-20(13-6-8-18-9-7-13)16(21)14-5-3-11-2-4-12(17)10-15(11)19-14;;/h2-5,10,13,18H,6-9H2,1H3;2*1H.
What are the key properties of 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride?
7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride has a molecular weight of 376.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119442428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).