N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide

C24H36N2O4S — CID 167208546

IUPACN-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide
SMILESCc1ccc2n(c1=O)C(COC1CCC(C3CC3C)CC1)C(NS(=O)(=O)C1CC1)CC2
InChIInChI=1S/C24H36N2O4S/c1-15-3-6-18-7-12-22(25-31(28,29)20-10-11-20)23(26(18)24(15)27)14-30-19-8-4-17(5-9-19)21-13-16(21)2/h3,6,16-17,19-23,25H,4-5,7-14H2,1-2H3
InChIKeyQDAPTVMIHUSDNL-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.33
Rot. Bonds7

About N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide

N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide (PubChem CID 167208546) has the molecular formula C24H36N2O4S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide
PubChem CID167208546
Molecular FormulaC24H36N2O4S
Molecular Weight448.63 g/mol
Exact Mass448.24
IUPAC NameN-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide
SMILESCc1ccc2n(c1=O)C(COC1CCC(C3CC3C)CC1)C(NS(=O)(=O)C1CC1)CC2
InChIInChI=1S/C24H36N2O4S/c1-15-3-6-18-7-12-22(25-31(28,29)20-10-11-20)23(26(18)24(15)27)14-30-19-8-4-17(5-9-19)21-13-16(21)2/h3,6,16-17,19-23,25H,4-5,7-14H2,1-2H3
InChIKeyQDAPTVMIHUSDNL-UHFFFAOYSA-N
XLogP3.33
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387781
3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine
CID 167208657
N-[7-methyl-6-oxo-4-[(4-propoxycyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167208341
N-[(3S,4R)-7-methyl-6-oxo-4-[(4-propylcyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858786
N-[4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 167208245
N-[(3S,4R)-4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387787
N-[7-methyl-4-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387826
ethyl 2-[4-[[(3S,4R)-3-(methanesulfonamido)-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-4-yl]methoxy]cyclohexyl]acetate
CID 165387789
7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
CID 175817683
4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione
CID 156745773
N-[(3S,4R)-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858836
7-(dimethylaminosulfanylamino)-3-methyl-6-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
CID 167208314

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide (CID 167208546) is N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide is Cc1ccc2n(c1=O)C(COC1CCC(C3CC3C)CC1)C(NS(=O)(=O)C1CC1)CC2.
What is the InChIKey of N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide?
The InChIKey is QDAPTVMIHUSDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4S/c1-15-3-6-18-7-12-22(25-31(28,29)20-10-11-20)23(26(18)24(15)27)14-30-19-8-4-17(5-9-19)21-13-16(21)2/h3,6,16-17,19-23,25H,4-5,7-14H2,1-2H3.
What are the key properties of N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide?
N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide has a molecular weight of 448.63 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 167208546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).