2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide

C22H19ClFN3O3S — CID 90088454

IUPAC2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc(Cl)n1
InChIInChI=1S/C22H19ClFN3O3S/c1-14-11-16(12-21(23)25-14)22(28)26-18-7-4-15-3-2-10-27(20(15)13-18)31(29,30)19-8-5-17(24)6-9-19/h4-9,11-13H,2-3,10H2,1H3,(H,26,28)
InChIKeyFXDJBSVHJATULF-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide

2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide (PubChem CID 90088454) has the molecular formula C22H19ClFN3O3S and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide
PubChem CID90088454
Molecular FormulaC22H19ClFN3O3S
Molecular Weight459.93 g/mol
Exact Mass459.08
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc(Cl)n1
InChIInChI=1S/C22H19ClFN3O3S/c1-14-11-16(12-21(23)25-14)22(28)26-18-7-4-15-3-2-10-27(20(15)13-18)31(29,30)19-8-5-17(24)6-9-19/h4-9,11-13H,2-3,10H2,1H3,(H,26,28)
InChIKeyFXDJBSVHJATULF-UHFFFAOYSA-N
XLogP4.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]pyridine-4-carboxamide
CID 90088378
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
2,6-dichloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69282851
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1H-pyrrole-2-carboxamide
CID 90088376
5-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-methoxybenzamide
CID 27443748
2-chloro-3,6-difluoro-N-[1-(4-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 69281993
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzamide
CID 16835287
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 27549201
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-propan-2-yloxybenzamide
CID 27532570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide (CID 90088454) is 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide?
The InChIKey is FXDJBSVHJATULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3S/c1-14-11-16(12-21(23)25-14)22(28)26-18-7-4-15-3-2-10-27(20(15)13-18)31(29,30)19-8-5-17(24)6-9-19/h4-9,11-13H,2-3,10H2,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 90088454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).