7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one

C14H15N3O2 — CID 18626516

IUPAC7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H15N3O2/c18-14-3-4-16-13-9-11(1-2-12(13)14)19-8-7-17-6-5-15-10-17/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyPPVNRSMJCQZTDS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.96
Rot. Bonds4

About 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one

7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 18626516) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one
PubChem CID18626516
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H15N3O2/c18-14-3-4-16-13-9-11(1-2-12(13)14)19-8-7-17-6-5-15-10-17/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyPPVNRSMJCQZTDS-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one
CID 18626469
(2E)-2-[(4-fluorophenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 18626475
4-[[6-(2-imidazol-1-ylethoxy)-1-oxo-3,4-dihydronaphthalen-2-ylidene]methyl]benzoic acid
CID 54557207
6-(2-imidazol-1-ylethoxy)-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 54405154
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-(1,3-benzodioxol-5-ylmethylidene)-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 54286466
(2E)-6-(2-imidazol-1-ylethoxy)-2-[(2,3,4-trimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 18626529
2-[(2,3-dimethoxyphenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 54154260
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091266
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 142643783

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one (CID 18626516) is 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2cc(OCCn3ccnc3)ccc21.
What is the InChIKey of 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is PPVNRSMJCQZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14-3-4-16-13-9-11(1-2-12(13)14)19-8-7-17-6-5-15-10-17/h1-2,5-6,9-10,16H,3-4,7-8H2.
What are the key properties of 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one?
7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 18626516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).