4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline

C18H16F2N4O2 — CID 59009061

IUPAC4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3ccc(N4CC(F)(F)C4)nc3)c2cc1OC
InChIInChI=1S/C18H16F2N4O2/c1-25-15-5-12-13(8-22-23-14(12)6-16(15)26-2)11-3-4-17(21-7-11)24-9-18(19,20)10-24/h3-8H,9-10H2,1-2H3
InChIKeyDZKAYRFPFJHYKS-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.16
Rot. Bonds4

About 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline

4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline (PubChem CID 59009061) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline.

Molecular Properties

Compound Name4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline
PubChem CID59009061
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline
SMILESCOc1cc2nncc(-c3ccc(N4CC(F)(F)C4)nc3)c2cc1OC
InChIInChI=1S/C18H16F2N4O2/c1-25-15-5-12-13(8-22-23-14(12)6-16(15)26-2)11-3-4-17(21-7-11)24-9-18(19,20)10-24/h3-8H,9-10H2,1-2H3
InChIKeyDZKAYRFPFJHYKS-UHFFFAOYSA-N
XLogP3.16
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CP466722
CID 44551660
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448
6,7-Dimethoxy-3-(3-pyridinyl)quinoline
CID 10445611
Dibenzo[c,f][2,7]naphthyridine, 7
CID 17754723
Dibenzo[c,f][2,7]naphthyridine, 8
CID 17754761
6-Methoxy-7-[2-(Quinolin-2-Yl)ethoxy]quinazoline
CID 24945787
9-Methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[c]-2,7-naphthyridin-4-amine
CID 25060408
2-{1-[5-(6,7-Dimethoxycinnolin-4-Yl)-3-Methylpyridin-2-Yl]piperidin-4-Yl}propan-2-Ol
CID 25196602
9-Methoxy-8-(2-methoxyethoxy)-N2,N2-dimethylbenzo[c]-2,7-naphthyridine-2,4-diamine
CID 44236913
Benzo[c][2,7]naphthyridine, 24
CID 44236921
Benzo[c][2,7]naphthyridine, 25
CID 44236922
Benzo[c][2,7]naphthyridine, 31
CID 44236928

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline?
The IUPAC name of 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline (CID 59009061) is 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline.
What is the SMILES notation for 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline?
The canonical SMILES for 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline is COc1cc2nncc(-c3ccc(N4CC(F)(F)C4)nc3)c2cc1OC.
What is the InChIKey of 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline?
The InChIKey is DZKAYRFPFJHYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-25-15-5-12-13(8-22-23-14(12)6-16(15)26-2)11-3-4-17(21-7-11)24-9-18(19,20)10-24/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline?
4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline has a molecular weight of 358.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6,7-dimethoxycinnoline is sourced from PubChem (CID 59009061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).