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

C25H20ClF3N4 — CID 42645035

IUPAC6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESFC(F)(F)c1cc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1Cl
InChIInChI=1S/C25H20ClF3N4/c26-22-6-5-16(11-21(22)25(27,28)29)14-33-10-8-20-18(15-33)7-9-30-24(20)32-19-12-17-3-1-2-4-23(17)31-13-19/h1-7,9,11-13H,8,10,14-15H2,(H,30,32)
InChIKeyLBKYNECAXFALGI-UHFFFAOYSA-N
MW468.91 g/mol
LogP6.60
Rot. Bonds4

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

6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42645035) has the molecular formula C25H20ClF3N4 and a molecular weight of 468.91 g/mol. Its IUPAC name is 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42645035
Molecular FormulaC25H20ClF3N4
Molecular Weight468.91 g/mol
Exact Mass468.13
IUPAC Name6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESFC(F)(F)c1cc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1Cl
InChIInChI=1S/C25H20ClF3N4/c26-22-6-5-16(11-21(22)25(27,28)29)14-33-10-8-20-18(15-33)7-9-30-24(20)32-19-12-17-3-1-2-4-23(17)31-13-19/h1-7,9,11-13H,8,10,14-15H2,(H,30,32)
InChIKeyLBKYNECAXFALGI-UHFFFAOYSA-N
XLogP6.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.91
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42645035) is 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is FC(F)(F)c1cc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)ccc1Cl.
What is the InChIKey of 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is LBKYNECAXFALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4/c26-22-6-5-16(11-21(22)25(27,28)29)14-33-10-8-20-18(15-33)7-9-30-24(20)32-19-12-17-3-1-2-4-23(17)31-13-19/h1-7,9,11-13H,8,10,14-15H2,(H,30,32).
What are the key properties of 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 468.91 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42645035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).