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

C22H14BrN3O2 — CID 137438175

IUPAC4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(Br)c3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H14BrN3O2/c1-12-4-7-19(28-12)21-15(10-16-17(23)11-20(27)25-22(16)26-21)13-5-6-18-14(9-13)3-2-8-24-18/h2-11H,1H3,(H,25,26,27)
InChIKeyUHXKHTDPBNHSLK-UHFFFAOYSA-N
MW432.28 g/mol
LogP5.47
Rot. Bonds2

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

4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438175) has the molecular formula C22H14BrN3O2 and a molecular weight of 432.28 g/mol. Its IUPAC name is 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438175
Molecular FormulaC22H14BrN3O2
Molecular Weight432.28 g/mol
Exact Mass431.03
IUPAC Name4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)cc(Br)c3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C22H14BrN3O2/c1-12-4-7-19(28-12)21-15(10-16-17(23)11-20(27)25-22(16)26-21)13-5-6-18-14(9-13)3-2-8-24-18/h2-11H,1H3,(H,25,26,27)
InChIKeyUHXKHTDPBNHSLK-UHFFFAOYSA-N
XLogP5.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438252
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
3-(5-methylfuran-2-yl)-7-pyridin-3-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657332
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841
N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 137423254
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chlorophenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chlorophenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159845232
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
CID 137438435
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-3-pyridin-2-yl-1H-1,8-naphthyridin-4-one
CID 137438886
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438175) is 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)cc(Br)c3cc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is UHXKHTDPBNHSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN3O2/c1-12-4-7-19(28-12)21-15(10-16-17(23)11-20(27)25-22(16)26-21)13-5-6-18-14(9-13)3-2-8-24-18/h2-11H,1H3,(H,25,26,27).
What are the key properties of 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 432.28 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).