4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

C22H32N4O — CID 23442486

IUPAC4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCCCCCCN(C)CCCn1c2ccc(C)cc2c(=O)c2c1cnn2C
InChIInChI=1S/C22H32N4O/c1-5-6-7-8-12-24(3)13-9-14-26-19-11-10-17(2)15-18(19)22(27)21-20(26)16-23-25(21)4/h10-11,15-16H,5-9,12-14H2,1-4H3
InChIKeyTZGZDWMIEAEGGP-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.10
Rot. Bonds9

About 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (PubChem CID 23442486) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
PubChem CID23442486
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCCCCCCN(C)CCCn1c2ccc(C)cc2c(=O)c2c1cnn2C
InChIInChI=1S/C22H32N4O/c1-5-6-7-8-12-24(3)13-9-14-26-19-11-10-17(2)15-18(19)22(27)21-20(26)16-23-25(21)4/h10-11,15-16H,5-9,12-14H2,1-4H3
InChIKeyTZGZDWMIEAEGGP-UHFFFAOYSA-N
XLogP4.10
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (CID 23442486) is 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is CCCCCCN(C)CCCn1c2ccc(C)cc2c(=O)c2c1cnn2C.
What is the InChIKey of 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The InChIKey is TZGZDWMIEAEGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-6-7-8-12-24(3)13-9-14-26-19-11-10-17(2)15-18(19)22(27)21-20(26)16-23-25(21)4/h10-11,15-16H,5-9,12-14H2,1-4H3.
What are the key properties of 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one has a molecular weight of 368.53 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 23442486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).