6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C24H20F2N4O3S — CID 68844862

IUPAC6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H20F2N4O3S/c25-24(26)33-19-5-7-20(8-6-19)34(31,32)30-12-10-21-17(15-30)9-11-27-23(21)29-18-13-16-3-1-2-4-22(16)28-14-18/h1-9,11,13-14,24H,10,12,15H2,(H,27,29)
InChIKeyLYSFBLCAUGXPIA-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.72
Rot. Bonds6

About 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68844862) has the molecular formula C24H20F2N4O3S and a molecular weight of 482.51 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID68844862
Molecular FormulaC24H20F2N4O3S
Molecular Weight482.51 g/mol
Exact Mass482.12
IUPAC Name6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H20F2N4O3S/c25-24(26)33-19-5-7-20(8-6-19)34(31,32)30-12-10-21-17(15-30)9-11-27-23(21)29-18-13-16-3-1-2-4-22(16)28-14-18/h1-9,11,13-14,24H,10,12,15H2,(H,27,29)
InChIKeyLYSFBLCAUGXPIA-UHFFFAOYSA-N
XLogP4.72
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68844862) is 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1ccc(OC(F)F)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is LYSFBLCAUGXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3S/c25-24(26)33-19-5-7-20(8-6-19)34(31,32)30-12-10-21-17(15-30)9-11-27-23(21)29-18-13-16-3-1-2-4-22(16)28-14-18/h1-9,11,13-14,24H,10,12,15H2,(H,27,29).
What are the key properties of 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 482.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68844862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).