7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C20H14N6O — CID 137438402

IUPAC7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C20H14N6O/c1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16/h2-11H,1H3,(H,22,24,27)
InChIKeyYCOTYOYFFYVRHA-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.93
Rot. Bonds2

About 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438402) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438402
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C20H14N6O/c1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16/h2-11H,1H3,(H,22,24,27)
InChIKeyYCOTYOYFFYVRHA-UHFFFAOYSA-N
XLogP2.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423219
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
4-oxo-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)cinnolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carbonitrile
CID 155170926
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657357
6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 163656576
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438252

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438402) is 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is YCOTYOYFFYVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c1-26-23-11-17(25-26)19-14(10-15-18(27)6-8-22-20(15)24-19)12-4-5-16-13(9-12)3-2-7-21-16/h2-11H,1H3,(H,22,24,27).
What are the key properties of 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 354.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).