3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

C26H23F3N6O — CID 58379658

IUPAC3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(CC(F)(F)F)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H23F3N6O/c1-33-22-14-31-21-7-6-20(17-12-16-4-2-3-5-19(16)30-13-17)32-23(21)24(22)35(25(33)36)18-8-10-34(11-9-18)15-26(27,28)29/h2-7,12-14,18H,8-11,15H2,1H3
InChIKeyKSWOHKLTWOQFCL-UHFFFAOYSA-N
MW492.51 g/mol
LogP4.70
Rot. Bonds3

About 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379658) has the molecular formula C26H23F3N6O and a molecular weight of 492.51 g/mol. Its IUPAC name is 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379658
Molecular FormulaC26H23F3N6O
Molecular Weight492.51 g/mol
Exact Mass492.19
IUPAC Name3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCN(CC(F)(F)F)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H23F3N6O/c1-33-22-14-31-21-7-6-20(17-12-16-4-2-3-5-19(16)30-13-17)32-23(21)24(22)35(25(33)36)18-8-10-34(11-9-18)15-26(27,28)29/h2-7,12-14,18H,8-11,15H2,1H3
InChIKeyKSWOHKLTWOQFCL-UHFFFAOYSA-N
XLogP4.70
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379658) is 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCN(CC(F)(F)F)CC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is KSWOHKLTWOQFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O/c1-33-22-14-31-21-7-6-20(17-12-16-4-2-3-5-19(16)30-13-17)32-23(21)24(22)35(25(33)36)18-8-10-34(11-9-18)15-26(27,28)29/h2-7,12-14,18H,8-11,15H2,1H3.
What are the key properties of 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 492.51 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-quinolin-3-yl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).