1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline

C24H28N4O2S — CID 75447789

IUPAC1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(S(=O)(=O)N3CCc4c(ncn4CCc4ccccc4)C3)cc21
InChIInChI=1S/C24H28N4O2S/c1-26-13-5-8-20-9-10-21(16-24(20)26)31(29,30)28-15-12-23-22(17-28)25-18-27(23)14-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18H,5,8,11-15,17H2,1H3
InChIKeyJUENRUBMUYMSBF-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.26
Rot. Bonds5

About 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline

1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 75447789) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID75447789
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(S(=O)(=O)N3CCc4c(ncn4CCc4ccccc4)C3)cc21
InChIInChI=1S/C24H28N4O2S/c1-26-13-5-8-20-9-10-21(16-24(20)26)31(29,30)28-15-12-23-22(17-28)25-18-27(23)14-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18H,5,8,11-15,17H2,1H3
InChIKeyJUENRUBMUYMSBF-UHFFFAOYSA-N
XLogP3.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

5-(4-methylsulfonylphenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452613
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452461
[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 110027649
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
CID 133452443
5-(2-fluoro-5-methoxy-4-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452609
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 110016711
2-[2-[4-[(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)sulfonyl]phenyl]ethyl]isoindole-1,3-dione
CID 108781359
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]pyrrolidin-3-ol
CID 129004412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline (CID 75447789) is 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline is CN1CCCc2ccc(S(=O)(=O)N3CCc4c(ncn4CCc4ccccc4)C3)cc21.
What is the InChIKey of 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is JUENRUBMUYMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-26-13-5-8-20-9-10-21(16-24(20)26)31(29,30)28-15-12-23-22(17-28)25-18-27(23)14-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18H,5,8,11-15,17H2,1H3.
What are the key properties of 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline?
1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 436.58 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 75447789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).