N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride

C19H27Cl2N3O2 — CID 120892003

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(C)nc3ccccc23)CCNCC1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14-11-16(15-5-3-4-6-17(15)22-14)18(23)21-12-19(13-24-2)7-9-20-10-8-19;;/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23);2*1H
InChIKeyHECSOAVMRKCJRC-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.13
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 120892003) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID120892003
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(C)nc3ccccc23)CCNCC1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14-11-16(15-5-3-4-6-17(15)22-14)18(23)21-12-19(13-24-2)7-9-20-10-8-19;;/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23);2*1H
InChIKeyHECSOAVMRKCJRC-UHFFFAOYSA-N
XLogP3.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 120887710
3-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-carboxamide;hydrochloride
CID 120891725
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 120887382
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120892061
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120889204
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride (CID 120892003) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cc(C)nc3ccccc23)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is HECSOAVMRKCJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-14-11-16(15-5-3-4-6-17(15)22-14)18(23)21-12-19(13-24-2)7-9-20-10-8-19;;/h3-6,11,20H,7-10,12-13H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120892003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).