N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide

C20H22FN3O3S — CID 142580499

IUPACN-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C3(C(=O)Nc4ccc(F)cn4)CCC3)ccc21
InChIInChI=1S/C20H22FN3O3S/c1-28(26,27)24-11-2-4-14-12-15(5-7-17(14)24)20(9-3-10-20)19(25)23-18-8-6-16(21)13-22-18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23,25)
InChIKeySICGGRWASQAOLF-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.99
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide

N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide (PubChem CID 142580499) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
PubChem CID142580499
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C3(C(=O)Nc4ccc(F)cn4)CCC3)ccc21
InChIInChI=1S/C20H22FN3O3S/c1-28(26,27)24-11-2-4-14-12-15(5-7-17(14)24)20(9-3-10-20)19(25)23-18-8-6-16(21)13-22-18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23,25)
InChIKeySICGGRWASQAOLF-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-pyridinyl)-1-[1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
CID 142580336
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
CID 142580555
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86980901
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
CID 142580511
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide (CID 142580499) is N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide is CS(=O)(=O)N1CCCc2cc(C3(C(=O)Nc4ccc(F)cn4)CCC3)ccc21.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide?
The InChIKey is SICGGRWASQAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-28(26,27)24-11-2-4-14-12-15(5-7-17(14)24)20(9-3-10-20)19(25)23-18-8-6-16(21)13-22-18/h5-8,12-13H,2-4,9-11H2,1H3,(H,22,23,25).
What are the key properties of N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 142580499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).