7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one

C20H30N2O3 — CID 23300506

IUPAC7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one
SMILESCCCCOc1c(OC(C)C)c(=O)n(CCCC)c2cc(N)ccc12
InChIInChI=1S/C20H30N2O3/c1-5-7-11-22-17-13-15(21)9-10-16(17)18(24-12-8-6-2)19(20(22)23)25-14(3)4/h9-10,13-14H,5-8,11-12,21H2,1-4H3
InChIKeyAUVGIQIWAJVOMA-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.35
Rot. Bonds9

About 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one

7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one (PubChem CID 23300506) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one
PubChem CID23300506
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one
SMILESCCCCOc1c(OC(C)C)c(=O)n(CCCC)c2cc(N)ccc12
InChIInChI=1S/C20H30N2O3/c1-5-7-11-22-17-13-15(21)9-10-16(17)18(24-12-8-6-2)19(20(22)23)25-14(3)4/h9-10,13-14H,5-8,11-12,21H2,1-4H3
InChIKeyAUVGIQIWAJVOMA-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-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 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one (CID 23300506) is 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one is CCCCOc1c(OC(C)C)c(=O)n(CCCC)c2cc(N)ccc12.
What is the InChIKey of 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one?
The InChIKey is AUVGIQIWAJVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-7-11-22-17-13-15(21)9-10-16(17)18(24-12-8-6-2)19(20(22)23)25-14(3)4/h9-10,13-14H,5-8,11-12,21H2,1-4H3.
What are the key properties of 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one?
7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one has a molecular weight of 346.47 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 23300506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).