2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one

C26H25N3O2 — CID 142837654

IUPAC2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(C2=CC=CCC=C2)c2cncc(OC3CCCC3)c12
InChIInChI=1S/C26H25N3O2/c30-23-16-25(28-19-10-4-3-5-11-19)29(20-12-6-1-2-7-13-20)22-17-27-18-24(26(22)23)31-21-14-8-9-15-21/h1,3-7,10-13,16-18,21,28H,2,8-9,14-15H2
InChIKeyXQALAEMLDZHMJS-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.82
Rot. Bonds5

About 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one

2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one (PubChem CID 142837654) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one
PubChem CID142837654
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(C2=CC=CCC=C2)c2cncc(OC3CCCC3)c12
InChIInChI=1S/C26H25N3O2/c30-23-16-25(28-19-10-4-3-5-11-19)29(20-12-6-1-2-7-13-20)22-17-27-18-24(26(22)23)31-21-14-8-9-15-21/h1,3-7,10-13,16-18,21,28H,2,8-9,14-15H2
InChIKeyXQALAEMLDZHMJS-UHFFFAOYSA-N
XLogP5.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one with MolForge

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Related Compounds

5-amino-2-anilino-1-phenyl-1,7-naphthyridin-4-one
CID 58589534
2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one
CID 20790898
2-(2-bicyclo[4.1.0]hept-2-enylamino)-5-methyl-1-phenyl-1,7-naphthyridin-4-one;molecular hydrogen
CID 142837631
2-anilino-8-cyclohepta-1,3,5-trien-1-yl-1-phenyl-1,6-naphthyridin-4-one
CID 142225356
2-anilino-8-[(2-methylpropan-2-yl)oxy]-1-phenyl-1,6-naphthyridin-4-one
CID 20790507
2,8-dianilino-1-phenyl-1,6-naphthyridin-4-one
CID 20790469
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
CID 20790733
8-anilino-4-cyclopentyloxy-2-methyl-9-phenyl-5H-pyrido[2,3-b]azepin-6-one;molecular hydrogen
CID 142225090
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
2-cyclopentyloxy-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790938
6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine
CID 58499046
2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-8-carboxylic acid
CID 10291839

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one (CID 142837654) is 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(C2=CC=CCC=C2)c2cncc(OC3CCCC3)c12.
What is the InChIKey of 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one?
The InChIKey is XQALAEMLDZHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-23-16-25(28-19-10-4-3-5-11-19)29(20-12-6-1-2-7-13-20)22-17-27-18-24(26(22)23)31-21-14-8-9-15-21/h1,3-7,10-13,16-18,21,28H,2,8-9,14-15H2.
What are the key properties of 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one?
2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one has a molecular weight of 411.51 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-cyclohepta-1,3,6-trien-1-yl-5-cyclopentyloxy-1,7-naphthyridin-4-one is sourced from PubChem (CID 142837654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).