N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C28H22F2N4O3S — CID 123953305

IUPACN-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(C4=C/N=C\CCC=C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H22F2N4O3S/c1-37-28-26(34-38(35,36)27-9-7-21(29)15-24(27)30)14-20(17-33-28)18-6-8-25-23(13-18)22(10-12-32-25)19-5-3-2-4-11-31-16-19/h3,5-17,34H,2,4H2,1H3/b5-3?,19-16?,31-11-
InChIKeyDVKDARKFNYNMFQ-QBXXBLCCSA-N
MW532.57 g/mol
LogP6.15
Rot. Bonds6

About N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 123953305) has the molecular formula C28H22F2N4O3S and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID123953305
Molecular FormulaC28H22F2N4O3S
Molecular Weight532.57 g/mol
Exact Mass532.14
IUPAC NameN-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(C4=C/N=C\CCC=C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H22F2N4O3S/c1-37-28-26(34-38(35,36)27-9-7-21(29)15-24(27)30)14-20(17-33-28)18-6-8-25-23(13-18)22(10-12-32-25)19-5-3-2-4-11-31-16-19/h3,5-17,34H,2,4H2,1H3/b5-3?,19-16?,31-11-
InChIKeyDVKDARKFNYNMFQ-QBXXBLCCSA-N
XLogP6.15
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.57
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 123953305) is N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3nccc(C4=C/N=C\CCC=C4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DVKDARKFNYNMFQ-QBXXBLCCSA-N. The full InChI is InChI=1S/C28H22F2N4O3S/c1-37-28-26(34-38(35,36)27-9-7-21(29)15-24(27)30)14-20(17-33-28)18-6-8-25-23(13-18)22(10-12-32-25)19-5-3-2-4-11-31-16-19/h3,5-17,34H,2,4H2,1H3/b5-3?,19-16?,31-11-.
What are the key properties of N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 532.57 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 123953305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).