7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one

C22H32N2O3 — CID 70252810

IUPAC7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CC)c2cc(N)ccc12
InChIInChI=1S/C22H32N2O3/c1-6-10-15(5)14-26-21-20(27-17(7-2)8-3)18-12-11-16(23)13-19(18)24(9-4)22(21)25/h7,11-13,15H,6,8-10,14,23H2,1-5H3
InChIKeyLQDQWLUPOGCYNP-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.11
Rot. Bonds9

About 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one

7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one (PubChem CID 70252810) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one
PubChem CID70252810
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CC)c2cc(N)ccc12
InChIInChI=1S/C22H32N2O3/c1-6-10-15(5)14-26-21-20(27-17(7-2)8-3)18-12-11-16(23)13-19(18)24(9-4)22(21)25/h7,11-13,15H,6,8-10,14,23H2,1-5H3
InChIKeyLQDQWLUPOGCYNP-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one?
The IUPAC name of 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one (CID 70252810) is 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one.
What is the SMILES notation for 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one?
The canonical SMILES for 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one is CC=C(CC)Oc1c(OCC(C)CCC)c(=O)n(CC)c2cc(N)ccc12.
What is the InChIKey of 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one?
The InChIKey is LQDQWLUPOGCYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-6-10-15(5)14-26-21-20(27-17(7-2)8-3)18-12-11-16(23)13-19(18)24(9-4)22(21)25/h7,11-13,15H,6,8-10,14,23H2,1-5H3.
What are the key properties of 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one?
7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one has a molecular weight of 372.51 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one is sourced from PubChem (CID 70252810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).