N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide

C24H19ClFN5O2S — CID 170262866

IUPACN-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCCc1cccc(Nc2c(C#N)cnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)c1F
InChIInChI=1S/C24H19ClFN5O2S/c1-3-14-5-4-6-20(22(14)26)30-23-17(11-27)13-28-19-8-7-15(9-18(19)23)16-10-21(24(25)29-12-16)31-34(2,32)33/h4-10,12-13,31H,3H2,1-2H3,(H,28,30)
InChIKeyMTNTVXDDRFVUNG-UHFFFAOYSA-N
MW495.97 g/mol
LogP5.64
Rot. Bonds6

About N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide

N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 170262866) has the molecular formula C24H19ClFN5O2S and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID170262866
Molecular FormulaC24H19ClFN5O2S
Molecular Weight495.97 g/mol
Exact Mass495.09
IUPAC NameN-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCCc1cccc(Nc2c(C#N)cnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)c1F
InChIInChI=1S/C24H19ClFN5O2S/c1-3-14-5-4-6-20(22(14)26)30-23-17(11-27)13-28-19-8-7-15(9-18(19)23)16-10-21(24(25)29-12-16)31-34(2,32)33/h4-10,12-13,31H,3H2,1-2H3,(H,28,30)
InChIKeyMTNTVXDDRFVUNG-UHFFFAOYSA-N
XLogP5.64
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-[3-cyano-4-[(3-fluorophenyl)methylamino]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 171341562
N-[2-chloro-5-[3-cyano-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164809102
N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
N-[2-chloro-5-[3-cyano-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]-3-pyridinyl]methanesulfinamide
CID 177022607
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
N-[2-chloro-5-[3-cyano-4-[(3-phenyloxetan-3-yl)amino]quinolin-6-yl]-3-pyridinyl]methanesulfinamide
CID 177022549
N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145382884
4-(2,3-difluoroanilino)quinoline-3-carbonitrile
CID 61077022
N-[2-chloro-5-[4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164556421
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 170262866) is N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide is CCc1cccc(Nc2c(C#N)cnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)c1F.
What is the InChIKey of N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is MTNTVXDDRFVUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O2S/c1-3-14-5-4-6-20(22(14)26)30-23-17(11-27)13-28-19-8-7-15(9-18(19)23)16-10-21(24(25)29-12-16)31-34(2,32)33/h4-10,12-13,31H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 495.97 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 170262866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).