1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one

C16H19N3O — CID 11722662

IUPAC1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
SMILESCCCCCn1c(=O)c2ncn(C)c2c2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-4-7-10-19-13-9-6-5-8-12(13)15-14(16(19)20)17-11-18(15)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZODMRMKETGMHRM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds4

About 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one

1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one (PubChem CID 11722662) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
PubChem CID11722662
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
SMILESCCCCCn1c(=O)c2ncn(C)c2c2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-4-7-10-19-13-9-6-5-8-12(13)15-14(16(19)20)17-11-18(15)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyZODMRMKETGMHRM-UHFFFAOYSA-N
XLogP3.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one (CID 11722662) is 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one is CCCCCn1c(=O)c2ncn(C)c2c2ccccc21.
What is the InChIKey of 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one?
The InChIKey is ZODMRMKETGMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-4-7-10-19-13-9-6-5-8-12(13)15-14(16(19)20)17-11-18(15)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one?
1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 11722662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).