2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide

C26H20F4N4O — CID 46849396

IUPAC2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3ncc4c(c23)CCCC4)cc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C26H20F4N4O/c27-23-19(6-3-7-20(23)26(28,29)30)25(35)34-17-10-8-16(9-11-17)33-21-12-13-31-24-22(21)18-5-2-1-4-15(18)14-32-24/h3,6-14H,1-2,4-5H2,(H,34,35)(H,31,32,33)
InChIKeySZDPODQASIRCRC-UHFFFAOYSA-N
MW480.47 g/mol
LogP6.66
Rot. Bonds4

About 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46849396) has the molecular formula C26H20F4N4O and a molecular weight of 480.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46849396
Molecular FormulaC26H20F4N4O
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC Name2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3ncc4c(c23)CCCC4)cc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C26H20F4N4O/c27-23-19(6-3-7-20(23)26(28,29)30)25(35)34-17-10-8-16(9-11-17)33-21-12-13-31-24-22(21)18-5-2-1-4-15(18)14-32-24/h3,6-14H,1-2,4-5H2,(H,34,35)(H,31,32,33)
InChIKeySZDPODQASIRCRC-UHFFFAOYSA-N
XLogP6.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide (CID 46849396) is 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Nc2ccnc3ncc4c(c23)CCCC4)cc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SZDPODQASIRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O/c27-23-19(6-3-7-20(23)26(28,29)30)25(35)34-17-10-8-16(9-11-17)33-21-12-13-31-24-22(21)18-5-2-1-4-15(18)14-32-24/h3,6-14H,1-2,4-5H2,(H,34,35)(H,31,32,33).
What are the key properties of 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 480.47 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46849396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).