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

C30H23F3N4O3S — CID 68845559

IUPACN-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C30H23F3N4O3S/c31-30(32,33)22-5-7-24(8-6-22)40-25-9-11-26(12-10-25)41(38,39)37-16-14-27-21(19-37)13-15-34-29(27)36-23-17-20-3-1-2-4-28(20)35-18-23/h1-13,15,17-18H,14,16,19H2,(H,34,36)
InChIKeyKUOFFWROTLJDHZ-UHFFFAOYSA-N
MW576.60 g/mol
LogP6.93
Rot. Bonds6

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

N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68845559) has the molecular formula C30H23F3N4O3S and a molecular weight of 576.60 g/mol. Its IUPAC name is N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID68845559
Molecular FormulaC30H23F3N4O3S
Molecular Weight576.60 g/mol
Exact Mass576.14
IUPAC NameN-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C30H23F3N4O3S/c31-30(32,33)22-5-7-24(8-6-22)40-25-9-11-26(12-10-25)41(38,39)37-16-14-27-21(19-37)13-15-34-29(27)36-23-17-20-3-1-2-4-28(20)35-18-23/h1-13,15,17-18H,14,16,19H2,(H,34,36)
InChIKeyKUOFFWROTLJDHZ-UHFFFAOYSA-N
XLogP6.93
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.60
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68845559) is N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is KUOFFWROTLJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O3S/c31-30(32,33)22-5-7-24(8-6-22)40-25-9-11-26(12-10-25)41(38,39)37-16-14-27-21(19-37)13-15-34-29(27)36-23-17-20-3-1-2-4-28(20)35-18-23/h1-13,15,17-18H,14,16,19H2,(H,34,36).
What are the key properties of N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 576.60 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68845559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).