7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one

C21H30N2O3 — CID 23300131

IUPAC7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one
SMILESCCCCn1c(=O)c(OC(C)C)c(OCC=C(C)C)c2ccc(N)cc21
InChIInChI=1S/C21H30N2O3/c1-6-7-11-23-18-13-16(22)8-9-17(18)19(25-12-10-14(2)3)20(21(23)24)26-15(4)5/h8-10,13,15H,6-7,11-12,22H2,1-5H3
InChIKeyCMJCFIWMUAPMLP-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.52
Rot. Bonds8

About 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one

7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one (PubChem CID 23300131) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one
PubChem CID23300131
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one
SMILESCCCCn1c(=O)c(OC(C)C)c(OCC=C(C)C)c2ccc(N)cc21
InChIInChI=1S/C21H30N2O3/c1-6-7-11-23-18-13-16(22)8-9-17(18)19(25-12-10-14(2)3)20(21(23)24)26-15(4)5/h8-10,13,15H,6-7,11-12,22H2,1-5H3
InChIKeyCMJCFIWMUAPMLP-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-butoxy-1-butyl-3-propan-2-yloxyquinolin-2-one
CID 23300506
[7-amino-4-(3-methylbut-2-enoxy)-1-octyl-2-oxoquinolin-3-yl] acetate
CID 23301111
7-amino-3,4-bis(3,7-dimethylocta-2,6-dienoxy)-1-hexylquinolin-2-one
CID 54250246
1-hexyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718437
7-amino-4-butoxy-1-ethyl-3-propan-2-yloxyquinolin-2-one
CID 23300669
1-butyl-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-7-(prop-2-enylamino)quinolin-2-one
CID 54151570
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1-octyl-3-propan-2-yloxyquinolin-2-one
CID 23300288
7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
CID 23300129
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252670
(7-amino-4-butoxy-1-butyl-2-oxoquinolin-3-yl) formate
CID 23300859
7-butoxy-1-butyl-4-hydroxy-3-(3-methylbut-2-enoxy)quinolin-2-one
CID 139716929
7-amino-4-hexoxy-1-hexyl-3-octoxyquinolin-2-one
CID 23300339

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one (CID 23300131) is 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one is CCCCn1c(=O)c(OC(C)C)c(OCC=C(C)C)c2ccc(N)cc21.
What is the InChIKey of 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one?
The InChIKey is CMJCFIWMUAPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-6-7-11-23-18-13-16(22)8-9-17(18)19(25-12-10-14(2)3)20(21(23)24)26-15(4)5/h8-10,13,15H,6-7,11-12,22H2,1-5H3.
What are the key properties of 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one?
7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one has a molecular weight of 358.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-butyl-4-(3-methylbut-2-enoxy)-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 23300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).