N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C26H24N6O2S — CID 18177053

IUPACN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc2c(c1)CC(N(Cc1cccnc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1
InChIInChI=1S/C26H24N6O2S/c27-13-20-8-9-26-22(11-20)12-24(18-31(26)17-23-15-29-19-30-23)32(16-21-5-4-10-28-14-21)35(33,34)25-6-2-1-3-7-25/h1-11,14-15,19,24H,12,16-18H2,(H,29,30)
InChIKeyRRXHAOQIXSGPRC-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.50
Rot. Bonds7

About N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 18177053) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID18177053
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC NameN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc2c(c1)CC(N(Cc1cccnc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1
InChIInChI=1S/C26H24N6O2S/c27-13-20-8-9-26-22(11-20)12-24(18-31(26)17-23-15-29-19-30-23)32(16-21-5-4-10-28-14-21)35(33,34)25-6-2-1-3-7-25/h1-11,14-15,19,24H,12,16-18H2,(H,29,30)
InChIKeyRRXHAOQIXSGPRC-UHFFFAOYSA-N
XLogP3.50
TPSA105.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 18177053) is N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is N#Cc1ccc2c(c1)CC(N(Cc1cccnc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1.
What is the InChIKey of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RRXHAOQIXSGPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c27-13-20-8-9-26-22(11-20)12-24(18-31(26)17-23-15-29-19-30-23)32(16-21-5-4-10-28-14-21)35(33,34)25-6-2-1-3-7-25/h1-11,14-15,19,24H,12,16-18H2,(H,29,30).
What are the key properties of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 484.59 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 18177053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).