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

C27H24N4O2 — CID 21302371

IUPAC6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one
SMILESCCn1c(=O)cc(-c2ccccc2)c2cc(C(N)(c3cccc(O)c3)c3cnc[nH]3)ccc21
InChIInChI=1S/C27H24N4O2/c1-2-31-24-12-11-20(14-23(24)22(15-26(31)33)18-7-4-3-5-8-18)27(28,25-16-29-17-30-25)19-9-6-10-21(32)13-19/h3-17,32H,2,28H2,1H3,(H,29,30)
InChIKeySSGCAUVGEIZLQC-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.37
Rot. Bonds5

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

6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one (PubChem CID 21302371) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one
PubChem CID21302371
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one
SMILESCCn1c(=O)cc(-c2ccccc2)c2cc(C(N)(c3cccc(O)c3)c3cnc[nH]3)ccc21
InChIInChI=1S/C27H24N4O2/c1-2-31-24-12-11-20(14-23(24)22(15-26(31)33)18-7-4-3-5-8-18)27(28,25-16-29-17-30-25)19-9-6-10-21(32)13-19/h3-17,32H,2,28H2,1H3,(H,29,30)
InChIKeySSGCAUVGEIZLQC-UHFFFAOYSA-N
XLogP4.37
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one 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-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one?
The IUPAC name of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one (CID 21302371) is 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one is CCn1c(=O)cc(-c2ccccc2)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-phenylquinolin-2-one?
The InChIKey is SSGCAUVGEIZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-2-31-24-12-11-20(14-23(24)22(15-26(31)33)18-7-4-3-5-8-18)27(28,25-16-29-17-30-25)19-9-6-10-21(32)13-19/h3-17,32H,2,28H2,1H3,(H,29,30).
What are the key properties of 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one?
6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one has a molecular weight of 436.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-hydroxyphenyl)-(1H-imidazol-5-yl)methyl]-1-ethyl-4-phenylquinolin-2-one is sourced from PubChem (CID 21302371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).