N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide

C20H17FN4O4S — CID 167237457

IUPACN-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C20H17FN4O4S/c21-16-6-8-18(25-30(27,28)13-3-1-2-4-13)15(10-22)19(16)29-12-5-7-17-14(9-12)20(26)24-11-23-17/h5-9,11,13,25H,1-4H2,(H,23,24,26)
InChIKeyFQXIDYXYWIVADO-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.41
Rot. Bonds5

About N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide

N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide (PubChem CID 167237457) has the molecular formula C20H17FN4O4S and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
PubChem CID167237457
Molecular FormulaC20H17FN4O4S
Molecular Weight428.45 g/mol
Exact Mass428.10
IUPAC NameN-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
SMILESN#Cc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C20H17FN4O4S/c21-16-6-8-18(25-30(27,28)13-3-1-2-4-13)15(10-22)19(16)29-12-5-7-17-14(9-12)20(26)24-11-23-17/h5-9,11,13,25H,1-4H2,(H,23,24,26)
InChIKeyFQXIDYXYWIVADO-UHFFFAOYSA-N
XLogP3.41
TPSA124.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[2-amino-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
CID 166169084
6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile
CID 167237494
N-[2-cyano-4-fluoro-3-[3-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-4-oxoquinazolin-6-yl]oxyphenyl]cyclopropanesulfonamide
CID 177011636
N-[3-[6-[2-cyano-3-[[cyclopentyl(dihydroxy)-λ4-sulfanyl]amino]-6-fluorophenoxy]-4-oxoquinazolin-3-yl]propyl]-N-methylacetamide
CID 164529522
6-(5-azaspiro[2.4]heptan-5-ylsulfanylamino)-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile;ethane;3-methyl-1-oxa-8-azaspiro[4.5]decane;molecular hydrogen
CID 177012096
(3R)-N-[3-[3-(4-bromocyclohexyl)-4-oxoquinazolin-6-yl]oxy-2-cyano-4-fluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 171470689
N-[2-cyano-4-fluoro-3-(4-oxo-3-piperidin-4-ylquinazolin-6-yl)oxyphenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 171429493
N-[2-cyano-3-(3-cyclopropyl-4-oxoquinazolin-6-yl)oxy-4-fluorophenyl]-2-(fluoromethyl)azetidine-1-sulfonamide
CID 176812948
N-[2-cyano-4-fluoro-3-(3-methoxy-4-oxoquinazolin-6-yl)oxyphenyl]-2-(fluoromethyl)azetidine-1-sulfonamide
CID 176812879
N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-(difluoromethyl)azetidine-1-sulfonamide
CID 176812859
N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-5-azaspiro[2.3]hexane-5-sulfonamide
CID 176812910
N-[2-cyano-4-fluoro-3-[3-(1-fluorocyclopropyl)-4-oxoquinazolin-6-yl]oxyphenyl]-2-azaspiro[3.3]heptane-2-sulfonamide
CID 176812962

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide (CID 167237457) is N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide is N#Cc1c(NS(=O)(=O)C2CCCC2)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide?
The InChIKey is FQXIDYXYWIVADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4S/c21-16-6-8-18(25-30(27,28)13-3-1-2-4-13)15(10-22)19(16)29-12-5-7-17-14(9-12)20(26)24-11-23-17/h5-9,11,13,25H,1-4H2,(H,23,24,26).
What are the key properties of N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide?
N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide has a molecular weight of 428.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 167237457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).