9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine

C22H20F3N3O2 — CID 14072014

IUPAC9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
SMILESCOc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2
InChIInChI=1S/C22H20F3N3O2/c1-12(2)30-21-19-16(9-11-27-21)28-15-8-10-26-20(29-3)18(15)17(19)13-6-4-5-7-14(13)22(23,24)25/h4-12,17,28H,1-3H3
InChIKeyKXQNLLVEGCKIEU-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.53
Rot. Bonds4

About 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine

9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine (PubChem CID 14072014) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
PubChem CID14072014
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
SMILESCOc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2
InChIInChI=1S/C22H20F3N3O2/c1-12(2)30-21-19-16(9-11-27-21)28-15-8-10-26-20(29-3)18(15)17(19)13-6-4-5-7-14(13)22(23,24)25/h4-12,17,28H,1-3H3
InChIKeyKXQNLLVEGCKIEU-UHFFFAOYSA-N
XLogP5.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine (CID 14072014) is 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine is COc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2.
What is the InChIKey of 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The InChIKey is KXQNLLVEGCKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-12(2)30-21-19-16(9-11-27-21)28-15-8-10-26-20(29-3)18(15)17(19)13-6-4-5-7-14(13)22(23,24)25/h4-12,17,28H,1-3H3.
What are the key properties of 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine has a molecular weight of 415.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-propan-2-yloxy-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 14072014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).