N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide

C21H20N4O3S — CID 139504774

IUPACN-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide
SMILESCOc1ccc2c(c1)ncc1ncn(Cc3ccc(NS(=O)(=O)C4CC4)cc3)c12
InChIInChI=1S/C21H20N4O3S/c1-28-16-6-9-18-19(10-16)22-11-20-21(18)25(13-23-20)12-14-2-4-15(5-3-14)24-29(26,27)17-7-8-17/h2-6,9-11,13,17,24H,7-8,12H2,1H3
InChIKeyNRUPMJIJEXJUQD-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide

N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide (PubChem CID 139504774) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide
PubChem CID139504774
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide
SMILESCOc1ccc2c(c1)ncc1ncn(Cc3ccc(NS(=O)(=O)C4CC4)cc3)c12
InChIInChI=1S/C21H20N4O3S/c1-28-16-6-9-18-19(10-16)22-11-20-21(18)25(13-23-20)12-14-2-4-15(5-3-14)24-29(26,27)17-7-8-17/h2-6,9-11,13,17,24H,7-8,12H2,1H3
InChIKeyNRUPMJIJEXJUQD-UHFFFAOYSA-N
XLogP3.55
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide with MolForge

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Related Compounds

1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
CID 165035279
7-methoxy-1-[(4-nitrosophenyl)methyl]imidazo[4,5-c]quinoline
CID 139490585
tert-butyl N-[4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]carbamate
CID 139505183
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
CID 167915221
1-[(4-methoxyphenyl)methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 134540798
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
1-benzyl-5-methoxybenzimidazole
CID 10900689
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
CID 174297669

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide (CID 139504774) is N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide is COc1ccc2c(c1)ncc1ncn(Cc3ccc(NS(=O)(=O)C4CC4)cc3)c12.
What is the InChIKey of N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide?
The InChIKey is NRUPMJIJEXJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-28-16-6-9-18-19(10-16)22-11-20-21(18)25(13-23-20)12-14-2-4-15(5-3-14)24-29(26,27)17-7-8-17/h2-6,9-11,13,17,24H,7-8,12H2,1H3.
What are the key properties of N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide?
N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxyimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 139504774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).