5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one

C19H25N3O — CID 10380769

IUPAC5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one
SMILESCCCCCCn1c(=O)c2c(ncn2C(C)C)c2ccccc21
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-12-21-16-11-8-7-10-15(16)17-18(19(21)23)22(13-20-17)14(2)3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3
InChIKeyAJIXGQPUZXLETG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.51
Rot. Bonds6

About 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one

5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one (PubChem CID 10380769) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one
PubChem CID10380769
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one
SMILESCCCCCCn1c(=O)c2c(ncn2C(C)C)c2ccccc21
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-12-21-16-11-8-7-10-15(16)17-18(19(21)23)22(13-20-17)14(2)3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3
InChIKeyAJIXGQPUZXLETG-UHFFFAOYSA-N
XLogP4.51
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-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

1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
CID 11722662
3-methyl-5-(2-methylpropyl)imidazo[4,5-c]quinolin-4-one
CID 11777131
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
CID 3077022
benzene;9-octylcarbazole
CID 175067369
1-methyl-5-propylimidazo[4,5-c]quinolin-4-one
CID 3077021
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
3-(dimethoxymethyl)-1-hexyl-4-methoxyquinolin-2-one
CID 5274973
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one (CID 10380769) is 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one is CCCCCCn1c(=O)c2c(ncn2C(C)C)c2ccccc21.
What is the InChIKey of 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one?
The InChIKey is AJIXGQPUZXLETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-6-9-12-21-16-11-8-7-10-15(16)17-18(19(21)23)22(13-20-17)14(2)3/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3.
What are the key properties of 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one?
5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one has a molecular weight of 311.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-propan-2-ylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 10380769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).