8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one

C14H18N2O2 — CID 12676775

IUPAC8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one
SMILESCCCNCc1ccc2c(C)cc(=O)[nH]c2c1O
InChIInChI=1S/C14H18N2O2/c1-3-6-15-8-10-4-5-11-9(2)7-12(17)16-13(11)14(10)18/h4-5,7,15,18H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyDCZPDWLNTJSKKO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.04
Rot. Bonds4

About 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one

8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one (PubChem CID 12676775) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one
PubChem CID12676775
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one
SMILESCCCNCc1ccc2c(C)cc(=O)[nH]c2c1O
InChIInChI=1S/C14H18N2O2/c1-3-6-15-8-10-4-5-11-9(2)7-12(17)16-13(11)14(10)18/h4-5,7,15,18H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyDCZPDWLNTJSKKO-UHFFFAOYSA-N
XLogP2.04
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one (CID 12676775) is 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one is CCCNCc1ccc2c(C)cc(=O)[nH]c2c1O.
What is the InChIKey of 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one?
The InChIKey is DCZPDWLNTJSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-6-15-8-10-4-5-11-9(2)7-12(17)16-13(11)14(10)18/h4-5,7,15,18H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one?
8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-methyl-7-(propylaminomethyl)-1H-quinolin-2-one is sourced from PubChem (CID 12676775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).