6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one

C25H26N4O2 — CID 66888266

IUPAC6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCC(C)CCOc1ccccc1Nc1nc(Nc2ccccc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C25H26N4O2/c1-17(2)13-15-31-21-11-7-6-10-20(21)28-24-23-18(12-14-26-25(23)30)16-22(29-24)27-19-8-4-3-5-9-19/h3-12,14,16-17H,13,15H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyJOVBJBPUIQWDQB-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.84
Rot. Bonds8

About 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one

6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 66888266) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID66888266
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCC(C)CCOc1ccccc1Nc1nc(Nc2ccccc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C25H26N4O2/c1-17(2)13-15-31-21-11-7-6-10-20(21)28-24-23-18(12-14-26-25(23)30)16-22(29-24)27-19-8-4-3-5-9-19/h3-12,14,16-17H,13,15H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyJOVBJBPUIQWDQB-UHFFFAOYSA-N
XLogP5.84
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(3-methylbutoxy)anilino]-6-(3-pyrrolidin-1-ylphenyl)-2H-2,7-naphthyridin-1-one
CID 66888161
8-[4-(4-ethoxypiperidin-1-yl)-3-fluoroanilino]-6-(2-sulfanylanilino)-2H-2,7-naphthyridin-1-one
CID 70809177
6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166928
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
N-(4-anilinophenyl)-2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 4944648
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112926836
5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
CID 7541113
N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
6-[(4-methyl-2-pyridinyl)amino]-8-(piperidin-4-ylmethylamino)-2H-2,7-naphthyridin-1-one
CID 66925452

Frequently Asked Questions

What is the IUPAC name of 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 66888266) is 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one is CC(C)CCOc1ccccc1Nc1nc(Nc2ccccc2)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is JOVBJBPUIQWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17(2)13-15-31-21-11-7-6-10-20(21)28-24-23-18(12-14-26-25(23)30)16-22(29-24)27-19-8-4-3-5-9-19/h3-12,14,16-17H,13,15H2,1-2H3,(H,26,30)(H2,27,28,29).
What are the key properties of 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one?
6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 414.51 g/mol, XLogP of 5.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).