3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline

C24H14N6 — CID 170125831

IUPAC3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline
SMILESc1cnc2ncc(-c3cc4ccc(-c5cnc6ccccc6n5)cc4nn3)cc2c1
InChIInChI=1S/C24H14N6/c1-2-6-20-19(5-1)26-14-23(28-20)16-8-7-15-11-22(30-29-21(15)12-16)18-10-17-4-3-9-25-24(17)27-13-18/h1-14H
InChIKeyPPFFLRPQIKKPIE-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.85
Rot. Bonds2

About 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline

3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline (PubChem CID 170125831) has the molecular formula C24H14N6 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline.

Molecular Properties

Compound Name3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline
PubChem CID170125831
Molecular FormulaC24H14N6
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline
SMILESc1cnc2ncc(-c3cc4ccc(-c5cnc6ccccc6n5)cc4nn3)cc2c1
InChIInChI=1S/C24H14N6/c1-2-6-20-19(5-1)26-14-23(28-20)16-8-7-15-11-22(30-29-21(15)12-16)18-10-17-4-3-9-25-24(17)27-13-18/h1-14H
InChIKeyPPFFLRPQIKKPIE-UHFFFAOYSA-N
XLogP4.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1,8-naphthyridin-3-yl)-2-quinazolin-6-ylquinoxaline
CID 155076503
2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline
CID 163835390
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
3-phthalazin-6-yl-1,8-naphthyridine
CID 166653985
2-(4-bromophenyl)pyrido[2,3-b]pyrazine
CID 5302464
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275
2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164982602
7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
CID 165020790
2-quinazolin-6-ylquinoxaline
CID 135299830
2-quinolin-3-ylpyridin-3-ol
CID 11074961
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102

Frequently Asked Questions

What is the IUPAC name of 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline?
The IUPAC name of 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline (CID 170125831) is 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline.
What is the SMILES notation for 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline?
The canonical SMILES for 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline is c1cnc2ncc(-c3cc4ccc(-c5cnc6ccccc6n5)cc4nn3)cc2c1.
What is the InChIKey of 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline?
The InChIKey is PPFFLRPQIKKPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N6/c1-2-6-20-19(5-1)26-14-23(28-20)16-8-7-15-11-22(30-29-21(15)12-16)18-10-17-4-3-9-25-24(17)27-13-18/h1-14H.
What are the key properties of 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline?
3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline has a molecular weight of 386.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline is sourced from PubChem (CID 170125831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).