N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

C19H30ClN3O4S — CID 120887894

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCNCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-14-19(7-9-20-10-8-19)13-21-18(23)16-5-6-17-15(12-16)4-3-11-22(17)27(2,24)25;/h5-6,12,20H,3-4,7-11,13-14H2,1-2H3,(H,21,23);1H
InChIKeyLZBATMOHGUIVCK-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.57
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (PubChem CID 120887894) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
PubChem CID120887894
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCNCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-14-19(7-9-20-10-8-19)13-21-18(23)16-5-6-17-15(12-16)4-3-11-22(17)27(2,24)25;/h5-6,12,20H,3-4,7-11,13-14H2,1-2H3,(H,21,23);1H
InChIKeyLZBATMOHGUIVCK-UHFFFAOYSA-N
XLogP1.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[1-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119565833
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 120890389
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120887230
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120887081
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (CID 120887894) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is COCC1(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is LZBATMOHGUIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-26-14-19(7-9-20-10-8-19)13-21-18(23)16-5-6-17-15(12-16)4-3-11-22(17)27(2,24)25;/h5-6,12,20H,3-4,7-11,13-14H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 120887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).