3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one

C23H18F2N4O2 — CID 154667334

IUPAC3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one
SMILESO=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16/h1-4,7,10-13H,5-6,8-9H2,(H,26,30)
InChIKeyAVKAXROTKLYBRR-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.01
Rot. Bonds2

About 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one

3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one (PubChem CID 154667334) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one
PubChem CID154667334
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one
SMILESO=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C23H18F2N4O2/c24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16/h1-4,7,10-13H,5-6,8-9H2,(H,26,30)
InChIKeyAVKAXROTKLYBRR-UHFFFAOYSA-N
XLogP4.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one?
The IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one (CID 154667334) is 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one is O=C(c1cnc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one?
The InChIKey is AVKAXROTKLYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-23(25)5-8-29(9-6-23)22(31)17-11-14-2-1-3-18(19(14)27-13-17)16-10-15-4-7-26-21(30)20(15)28-12-16/h1-4,7,10-13H,5-6,8-9H2,(H,26,30).
What are the key properties of 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one?
3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one has a molecular weight of 420.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 154667334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).