[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid

C28H23F3N4O5 — CID 69141765

IUPAC[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H23F3N4O5/c29-28(30,31)19-9-15(14-33-27(38)39)10-20(13-19)34-26(37)17-2-1-16-3-4-21(12-18(16)11-17)40-23-7-8-32-25-22(23)5-6-24(36)35-25/h3-10,12-13,17,33H,1-2,11,14H2,(H,34,37)(H,38,39)(H,32,35,36)
InChIKeyZRFANQMIQOBYSL-UHFFFAOYSA-N
MW552.51 g/mol
LogP5.25
Rot. Bonds6

About [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid

[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid (PubChem CID 69141765) has the molecular formula C28H23F3N4O5 and a molecular weight of 552.51 g/mol. Its IUPAC name is [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid
PubChem CID69141765
Molecular FormulaC28H23F3N4O5
Molecular Weight552.51 g/mol
Exact Mass552.16
IUPAC Name[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H23F3N4O5/c29-28(30,31)19-9-15(14-33-27(38)39)10-20(13-19)34-26(37)17-2-1-16-3-4-21(12-18(16)11-17)40-23-7-8-32-25-22(23)5-6-24(36)35-25/h3-10,12-13,17,33H,1-2,11,14H2,(H,34,37)(H,38,39)(H,32,35,36)
InChIKeyZRFANQMIQOBYSL-UHFFFAOYSA-N
XLogP5.25
TPSA133.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid?
The IUPAC name of [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid (CID 69141765) is [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid?
The canonical SMILES for [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid is O=C(O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc5[nH]c(=O)ccc45)cc3C2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid?
The InChIKey is ZRFANQMIQOBYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O5/c29-28(30,31)19-9-15(14-33-27(38)39)10-20(13-19)34-26(37)17-2-1-16-3-4-21(12-18(16)11-17)40-23-7-8-32-25-22(23)5-6-24(36)35-25/h3-10,12-13,17,33H,1-2,11,14H2,(H,34,37)(H,38,39)(H,32,35,36).
What are the key properties of [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid?
[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid has a molecular weight of 552.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 69141765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).