N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide

C27H29N7O2S — CID 11329760

IUPACN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccccc1CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C27H29N7O2S/c1-20-6-4-5-7-22(20)14-34(37(35,36)27-17-31(2)19-30-27)24-11-23-10-21(12-28)8-9-26(23)33(15-24)16-25-13-29-18-32(25)3/h4-10,13,17-19,24H,11,14-16H2,1-3H3
InChIKeyLNNRPGCPPFJQSP-UHFFFAOYSA-N
MW515.64 g/mol
LogP3.16
Rot. Bonds7

About N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide

N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 11329760) has the molecular formula C27H29N7O2S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID11329760
Molecular FormulaC27H29N7O2S
Molecular Weight515.64 g/mol
Exact Mass515.21
IUPAC NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccccc1CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C27H29N7O2S/c1-20-6-4-5-7-22(20)14-34(37(35,36)27-17-31(2)19-30-27)24-11-23-10-21(12-28)8-9-26(23)33(15-24)16-25-13-29-18-32(25)3/h4-10,13,17-19,24H,11,14-16H2,1-3H3
InChIKeyLNNRPGCPPFJQSP-UHFFFAOYSA-N
XLogP3.16
TPSA100.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 17758541
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)pyridine-2-sulfonamide
CID 9806149
N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-1-methyl-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 11191318
N-benzyl-N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-1H-imidazole-4-sulfonamide
CID 11237384
N-Benzyl-N-(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)-1-Methyl-1h-Imidazole-4-Sulfonamide
CID 11294760
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-N-(2-methylprop-2-en-1-yl)-1H-imidazole-4-sulfonamide
CID 11363291
[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-(1-methyl-1H-imidazole-4-sulfonyl)amino]-acetic Acid tert-Butyl Ester
CID 11364483
N-tert-butyl-2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]acetamide
CID 11409845
N-(2-bromoprop-2-en-1-yl)-N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-1H-imidazole-4-sulfonamide
CID 11478097
N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-N-(cyclohexylmethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 11248965
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 11271978
N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-ylmethyl)amino]ethyl}benzenesulfonamide
CID 11329222

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide (CID 11329760) is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide is Cc1ccccc1CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is LNNRPGCPPFJQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S/c1-20-6-4-5-7-22(20)14-34(37(35,36)27-17-31(2)19-30-27)24-11-23-10-21(12-28)8-9-26(23)33(15-24)16-25-13-29-18-32(25)3/h4-10,13,17-19,24H,11,14-16H2,1-3H3.
What are the key properties of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide?
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 515.64 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 11329760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).