7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C22H16N4O — CID 137438504

IUPAC7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C22H16N4O/c1-13-4-6-19(25-13)21-16(12-17-20(27)8-10-24-22(17)26-21)14-5-7-18-15(11-14)3-2-9-23-18/h2-12,25H,1H3,(H,24,26,27)
InChIKeyBYTDTWFTGVJWBI-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.44
Rot. Bonds2

About 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438504) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438504
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C22H16N4O/c1-13-4-6-19(25-13)21-16(12-17-20(27)8-10-24-22(17)26-21)14-5-7-18-15(11-14)3-2-9-23-18/h2-12,25H,1H3,(H,24,26,27)
InChIKeyBYTDTWFTGVJWBI-UHFFFAOYSA-N
XLogP4.44
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
3-(2-methyl-1H-imidazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657357
5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 155170905
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
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438504) is 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is BYTDTWFTGVJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-13-4-6-19(25-13)21-16(12-17-20(27)8-10-24-22(17)26-21)14-5-7-18-15(11-14)3-2-9-23-18/h2-12,25H,1H3,(H,24,26,27).
What are the key properties of 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 352.40 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).