5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one

C24H30N2O3 — CID 140979734

IUPAC5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(OC)c(=O)n(C)c2cccc(NCc3ccccc3)c12
InChIInChI=1S/C24H30N2O3/c1-4-5-6-10-16-29-22-21-19(25-17-18-12-8-7-9-13-18)14-11-15-20(21)26(2)24(27)23(22)28-3/h7-9,11-15,25H,4-6,10,16-17H2,1-3H3
InChIKeyITMHIPJRAFUYOL-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.12
Rot. Bonds10

About 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one

5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one (PubChem CID 140979734) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one
PubChem CID140979734
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(OC)c(=O)n(C)c2cccc(NCc3ccccc3)c12
InChIInChI=1S/C24H30N2O3/c1-4-5-6-10-16-29-22-21-19(25-17-18-12-8-7-9-13-18)14-11-15-20(21)26(2)24(27)23(22)28-3/h7-9,11-15,25H,4-6,10,16-17H2,1-3H3
InChIKeyITMHIPJRAFUYOL-UHFFFAOYSA-N
XLogP5.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one
CID 140979750
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718194
5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
4-butoxy-1-hexyl-3-methoxy-7-phenylmethoxyquinolin-2-one
CID 139717303
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one?
The IUPAC name of 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one (CID 140979734) is 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one is CCCCCCOc1c(OC)c(=O)n(C)c2cccc(NCc3ccccc3)c12.
What is the InChIKey of 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one?
The InChIKey is ITMHIPJRAFUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-5-6-10-16-29-22-21-19(25-17-18-12-8-7-9-13-18)14-11-15-20(21)26(2)24(27)23(22)28-3/h7-9,11-15,25H,4-6,10,16-17H2,1-3H3.
What are the key properties of 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one?
5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 140979734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).