1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one

C19H26N2O3 — CID 23301062

IUPAC1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NC)cc21
InChIInChI=1S/C19H26N2O3/c1-5-6-10-21-16-12-14(20-4)7-8-15(16)18(17(22)19(21)23)24-11-9-13(2)3/h7-9,12,20,22H,5-6,10-11H2,1-4H3
InChIKeyGUSHVNQOOIPAPN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.89
Rot. Bonds7

About 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one

1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one (PubChem CID 23301062) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one
PubChem CID23301062
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NC)cc21
InChIInChI=1S/C19H26N2O3/c1-5-6-10-21-16-12-14(20-4)7-8-15(16)18(17(22)19(21)23)24-11-9-13(2)3/h7-9,12,20,22H,5-6,10-11H2,1-4H3
InChIKeyGUSHVNQOOIPAPN-UHFFFAOYSA-N
XLogP3.89
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one?
The IUPAC name of 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one (CID 23301062) is 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one.
What is the SMILES notation for 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one?
The canonical SMILES for 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one is CCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NC)cc21.
What is the InChIKey of 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one?
The InChIKey is GUSHVNQOOIPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-6-10-21-16-12-14(20-4)7-8-15(16)18(17(22)19(21)23)24-11-9-13(2)3/h7-9,12,20,22H,5-6,10-11H2,1-4H3.
What are the key properties of 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one?
1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one has a molecular weight of 330.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one is sourced from PubChem (CID 23301062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).