6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C16H20ClN3O3 — CID 135667715

IUPAC6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCCC1C(=O)NC2=Nc3ccc(OCCCCO)c(Cl)c3CN21
InChIInChI=1S/C16H20ClN3O3/c1-2-12-15(22)19-16-18-11-5-6-13(23-8-4-3-7-21)14(17)10(11)9-20(12)16/h5-6,12,21H,2-4,7-9H2,1H3,(H,18,19,22)
InChIKeyFGWGHVGHLTUYEO-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.20
Rot. Bonds6

About 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135667715) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135667715
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCCC1C(=O)NC2=Nc3ccc(OCCCCO)c(Cl)c3CN21
InChIInChI=1S/C16H20ClN3O3/c1-2-12-15(22)19-16-18-11-5-6-13(23-8-4-3-7-21)14(17)10(11)9-20(12)16/h5-6,12,21H,2-4,7-9H2,1H3,(H,18,19,22)
InChIKeyFGWGHVGHLTUYEO-UHFFFAOYSA-N
XLogP2.20
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135667715) is 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is CCC1C(=O)NC2=Nc3ccc(OCCCCO)c(Cl)c3CN21.
What is the InChIKey of 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is FGWGHVGHLTUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-2-12-15(22)19-16-18-11-5-6-13(23-8-4-3-7-21)14(17)10(11)9-20(12)16/h5-6,12,21H,2-4,7-9H2,1H3,(H,18,19,22).
What are the key properties of 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 337.81 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-7-(4-hydroxybutoxy)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135667715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).