6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one

C26H23N5O2 — CID 21302370

IUPAC6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one
SMILESCCn1c(=O)cc(-c2cccnc2)c2cc(C(N)(c3cccc(O)c3)c3cnc[nH]3)ccc21
InChIInChI=1S/C26H23N5O2/c1-2-31-23-9-8-19(12-22(23)21(13-25(31)33)17-5-4-10-28-14-17)26(27,24-15-29-16-30-24)18-6-3-7-20(32)11-18/h3-16,32H,2,27H2,1H3,(H,29,30)
InChIKeyWOBZOEKBNKISEJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.76
Rot. Bonds5

About 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one

6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one (PubChem CID 21302370) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one
PubChem CID21302370
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one
SMILESCCn1c(=O)cc(-c2cccnc2)c2cc(C(N)(c3cccc(O)c3)c3cnc[nH]3)ccc21
InChIInChI=1S/C26H23N5O2/c1-2-31-23-9-8-19(12-22(23)21(13-25(31)33)17-5-4-10-28-14-17)26(27,24-15-29-16-30-24)18-6-3-7-20(32)11-18/h3-16,32H,2,27H2,1H3,(H,29,30)
InChIKeyWOBZOEKBNKISEJ-UHFFFAOYSA-N
XLogP3.76
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one?
The IUPAC name of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one (CID 21302370) is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one.
What is the SMILES notation for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one?
The canonical SMILES for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one is CCn1c(=O)cc(-c2cccnc2)c2cc(C(N)(c3cccc(O)c3)c3cnc[nH]3)ccc21.
What is the InChIKey of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one?
The InChIKey is WOBZOEKBNKISEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-2-31-23-9-8-19(12-22(23)21(13-25(31)33)17-5-4-10-28-14-17)26(27,24-15-29-16-30-24)18-6-3-7-20(32)11-18/h3-16,32H,2,27H2,1H3,(H,29,30).
What are the key properties of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one?
6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one has a molecular weight of 437.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-pyridin-3-ylquinolin-2-one is sourced from PubChem (CID 21302370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).