6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane

C81H97BrN8O14Sn — CID 158244363

IUPAC6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cnc2c(c1)c(O)c(C)c(=O)n2OCc1ccccc1.Cc1c(O)c2cc(Br)cnc2n(OCc2ccccc2)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(O)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3.C18H16N2O4.C16H13BrN2O3.C12H14N2O3.C4H7O.3C4H9.Sn/c1-12(2)15-9-16-17(22)13(3)19(23)21(18(16)20-10-15)24-11-14-7-5-4-6-8-14;1-11-16(22)15-8-14(12(2)21)9-19-17(15)20(18(11)23)24-10-13-6-4-3-5-7-13;1-10-14(20)13-7-12(17)8-18-15(13)19(16(10)21)22-9-11-5-3-2-4-6-11;1-6(2)8-4-9-10(15)7(3)12(16)14(17)11(9)13-5-8;1-3-5-4-2;3*1-3-4-2;/h4-10,12,22H,11H2,1-3H3;3-9,22H,10H2,1-2H3;2-8,20H,9H2,1H3;4-6,15,17H,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyGFYAPHQBBOJVIJ-UHFFFAOYSA-N
MW1605.32 g/mol
LogP15.90
Rot. Bonds24

About 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane

6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane (PubChem CID 158244363) has the molecular formula C81H97BrN8O14Sn and a molecular weight of 1605.32 g/mol. Its IUPAC name is 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane
PubChem CID158244363
Molecular FormulaC81H97BrN8O14Sn
Molecular Weight1605.32 g/mol
Exact Mass1604.53
IUPAC Name6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cnc2c(c1)c(O)c(C)c(=O)n2OCc1ccccc1.Cc1c(O)c2cc(Br)cnc2n(OCc2ccccc2)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(O)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3.C18H16N2O4.C16H13BrN2O3.C12H14N2O3.C4H7O.3C4H9.Sn/c1-12(2)15-9-16-17(22)13(3)19(23)21(18(16)20-10-15)24-11-14-7-5-4-6-8-14;1-11-16(22)15-8-14(12(2)21)9-19-17(15)20(18(11)23)24-10-13-6-4-3-5-7-13;1-10-14(20)13-7-12(17)8-18-15(13)19(16(10)21)22-9-11-5-3-2-4-6-11;1-6(2)8-4-9-10(15)7(3)12(16)14(17)11(9)13-5-8;1-3-5-4-2;3*1-3-4-2;/h4-10,12,22H,11H2,1-3H3;3-9,22H,10H2,1-2H3;2-8,20H,9H2,1H3;4-6,15,17H,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyGFYAPHQBBOJVIJ-UHFFFAOYSA-N
XLogP15.90
TPSA294.70 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.32
LogP ≤ 515.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane (CID 158244363) is 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cnc2c(c1)c(O)c(C)c(=O)n2OCc1ccccc1.Cc1c(O)c2cc(Br)cnc2n(OCc2ccccc2)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(O)c1=O.Cc1c(O)c2cc(C(C)C)cnc2n(OCc2ccccc2)c1=O.
What is the InChIKey of 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is GFYAPHQBBOJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.C18H16N2O4.C16H13BrN2O3.C12H14N2O3.C4H7O.3C4H9.Sn/c1-12(2)15-9-16-17(22)13(3)19(23)21(18(16)20-10-15)24-11-14-7-5-4-6-8-14;1-11-16(22)15-8-14(12(2)21)9-19-17(15)20(18(11)23)24-10-13-6-4-3-5-7-13;1-10-14(20)13-7-12(17)8-18-15(13)19(16(10)21)22-9-11-5-3-2-4-6-11;1-6(2)8-4-9-10(15)7(3)12(16)14(17)11(9)13-5-8;1-3-5-4-2;3*1-3-4-2;/h4-10,12,22H,11H2,1-3H3;3-9,22H,10H2,1-2H3;2-8,20H,9H2,1H3;4-6,15,17H,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane?
6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1605.32 g/mol, XLogP of 15.90, 24 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;6-bromo-4-hydroxy-3-methyl-1-phenylmethoxy-1,8-naphthyridin-2-one;1,4-dihydroxy-3-methyl-6-propan-2-yl-1,8-naphthyridin-2-one;4-hydroxy-3-methyl-1-phenylmethoxy-6-propan-2-yl-1,8-naphthyridin-2-one;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 158244363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).