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

C26H25N7O2S — CID 11271978

IUPACN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
SMILESCn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
InChIInChI=1S/C26H25N7O2S/c1-31-19-28-15-24(31)18-32-17-23(13-21-12-20(14-27)8-9-25(21)32)33(16-22-6-2-4-10-29-22)36(34,35)26-7-3-5-11-30-26/h2-12,15,19,23H,13,16-18H2,1H3
InChIKeyGQLZRVHYGCXHSR-UHFFFAOYSA-N
MW499.60 g/mol
LogP2.90
Rot. Bonds7

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

N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide (PubChem CID 11271978) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
PubChem CID11271978
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC NameN-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
SMILESCn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
InChIInChI=1S/C26H25N7O2S/c1-31-19-28-15-24(31)18-32-17-23(13-21-12-20(14-27)8-9-25(21)32)33(16-22-6-2-4-10-29-22)36(34,35)26-7-3-5-11-30-26/h2-12,15,19,23H,13,16-18H2,1H3
InChIKeyGQLZRVHYGCXHSR-UHFFFAOYSA-N
XLogP2.90
TPSA108.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide (CID 11271978) is N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide is Cn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21.
What is the InChIKey of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is GQLZRVHYGCXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2S/c1-31-19-28-15-24(31)18-32-17-23(13-21-12-20(14-27)8-9-25(21)32)33(16-22-6-2-4-10-29-22)36(34,35)26-7-3-5-11-30-26/h2-12,15,19,23H,13,16-18H2,1H3.
What are the key properties of N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 499.60 g/mol, XLogP of 2.90, 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]-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 11271978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).