7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one

C24H36N2O3 — CID 70248186

IUPAC7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OCCCC)c(=O)n(CCCCCC)c2cc(N)ccc12
InChIInChI=1S/C24H36N2O3/c1-5-9-11-12-15-26-21-17-18(25)13-14-20(21)22(29-19(7-3)8-4)23(24(26)27)28-16-10-6-2/h7,13-14,17H,5-6,8-12,15-16,25H2,1-4H3
InChIKeyXGTJGVSQKWLZEZ-UHFFFAOYSA-N
MW400.56 g/mol
LogP6.04
Rot. Bonds12

About 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one

7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one (PubChem CID 70248186) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one
PubChem CID70248186
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one
SMILESCC=C(CC)Oc1c(OCCCC)c(=O)n(CCCCCC)c2cc(N)ccc12
InChIInChI=1S/C24H36N2O3/c1-5-9-11-12-15-26-21-17-18(25)13-14-20(21)22(29-19(7-3)8-4)23(24(26)27)28-16-10-6-2/h7,13-14,17H,5-6,8-12,15-16,25H2,1-4H3
InChIKeyXGTJGVSQKWLZEZ-UHFFFAOYSA-N
XLogP6.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one with MolForge

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Related Compounds

7-amino-3,4-dihexoxy-1-octylquinolin-2-one
CID 23300142
7-amino-4-hexoxy-1-hexyl-3-octoxyquinolin-2-one
CID 23300339
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252670
3-hexoxy-7-nitro-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70251846
3-butoxy-1-butyl-7-nitro-4-pent-2-en-3-yloxyquinolin-2-one
CID 70250628
(7-amino-4-butoxy-1-butyl-2-oxoquinolin-3-yl) formate
CID 23300859
[7-amino-4-(3-methylbut-2-enoxy)-1-octyl-2-oxoquinolin-3-yl] acetate
CID 23301111
7-amino-1-ethyl-3-(2-methylpentoxy)-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252810
7-amino-3,4-bis(3,7-dimethylocta-2,6-dienoxy)-1-hexylquinolin-2-one
CID 54250246
7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one
CID 23300506
(7-amino-4-butoxy-1-ethyl-2-oxoquinolin-3-yl) acetate
CID 23300562
(7-amino-1-ethyl-2-oxo-4-pent-2-en-3-yloxyquinolin-3-yl) formate
CID 173286494

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one?
The IUPAC name of 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one (CID 70248186) is 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one.
What is the SMILES notation for 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one?
The canonical SMILES for 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one is CC=C(CC)Oc1c(OCCCC)c(=O)n(CCCCCC)c2cc(N)ccc12.
What is the InChIKey of 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one?
The InChIKey is XGTJGVSQKWLZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-5-9-11-12-15-26-21-17-18(25)13-14-20(21)22(29-19(7-3)8-4)23(24(26)27)28-16-10-6-2/h7,13-14,17H,5-6,8-12,15-16,25H2,1-4H3.
What are the key properties of 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one?
7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one has a molecular weight of 400.56 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one is sourced from PubChem (CID 70248186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).