2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H19F2N3O4S — CID 71241910

IUPAC2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C24H19F2N3O4S/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21/h2-13H,14H2,1H3,(H2,27,30)
InChIKeySIHAPZTYPANHFU-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.36
Rot. Bonds7

About 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241910) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241910
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.50 g/mol
Exact Mass483.11
IUPAC Name2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1
InChIInChI=1S/C24H19F2N3O4S/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21/h2-13H,14H2,1H3,(H2,27,30)
InChIKeySIHAPZTYPANHFU-UHFFFAOYSA-N
XLogP4.36
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241910) is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.
What is the InChIKey of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is SIHAPZTYPANHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21/h2-13H,14H2,1H3,(H2,27,30).
What are the key properties of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).