3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one

C19H27NO4 — CID 5274973

IUPAC3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one
SMILESCCCCCCn1c(=O)c(C(OC)OC)c(OC)c2ccccc21
InChIInChI=1S/C19H27NO4/c1-5-6-7-10-13-20-15-12-9-8-11-14(15)17(22-2)16(18(20)21)19(23-3)24-4/h8-9,11-12,19H,5-7,10,13H2,1-4H3
InChIKeyHBCRTPJHHQHKHL-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.88
Rot. Bonds9

About 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one

3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one (PubChem CID 5274973) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one
PubChem CID5274973
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one
SMILESCCCCCCn1c(=O)c(C(OC)OC)c(OC)c2ccccc21
InChIInChI=1S/C19H27NO4/c1-5-6-7-10-13-20-15-12-9-8-11-14(15)17(22-2)16(18(20)21)19(23-3)24-4/h8-9,11-12,19H,5-7,10,13H2,1-4H3
InChIKeyHBCRTPJHHQHKHL-UHFFFAOYSA-N
XLogP3.88
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900
3,7-dimethoxy-1-octyl-4-propan-2-yloxyquinolin-2-one
CID 139717374
[(E)-(1-hexyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
CID 135928582
5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one
CID 10380769
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one?
The IUPAC name of 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one (CID 5274973) is 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one.
What is the SMILES notation for 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one?
The canonical SMILES for 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one is CCCCCCn1c(=O)c(C(OC)OC)c(OC)c2ccccc21.
What is the InChIKey of 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one?
The InChIKey is HBCRTPJHHQHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-5-6-7-10-13-20-15-12-9-8-11-14(15)17(22-2)16(18(20)21)19(23-3)24-4/h8-9,11-12,19H,5-7,10,13H2,1-4H3.
What are the key properties of 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one?
3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one is sourced from PubChem (CID 5274973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).