4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

C18H14IN3O — CID 23442404

IUPAC4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCc1ccc2c(c1)c(=O)c1c(cnn1C)n2-c1cccc(I)c1
InChIInChI=1S/C18H14IN3O/c1-11-6-7-15-14(8-11)18(23)17-16(10-20-21(17)2)22(15)13-5-3-4-12(19)9-13/h3-10H,1-2H3
InChIKeyMHLWLPGZSMZTLH-UHFFFAOYSA-N
MW415.23 g/mol
LogP3.79
Rot. Bonds1

About 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one

4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (PubChem CID 23442404) has the molecular formula C18H14IN3O and a molecular weight of 415.23 g/mol. Its IUPAC name is 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
PubChem CID23442404
Molecular FormulaC18H14IN3O
Molecular Weight415.23 g/mol
Exact Mass415.02
IUPAC Name4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
SMILESCc1ccc2c(c1)c(=O)c1c(cnn1C)n2-c1cccc(I)c1
InChIInChI=1S/C18H14IN3O/c1-11-6-7-15-14(8-11)18(23)17-16(10-20-21(17)2)22(15)13-5-3-4-12(19)9-13/h3-10H,1-2H3
InChIKeyMHLWLPGZSMZTLH-UHFFFAOYSA-N
XLogP3.79
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
CID 23442433
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753
4-[3-[hexyl(methyl)amino]propyl]-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
CID 23442486
1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one
CID 23442461
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 45106017
2,6-dimethyl-4-oxo-1-phenylquinoline-3-carboxylic acid
CID 126617950
1,5-dimethylindazole;ethane
CID 90788862
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one (CID 23442404) is 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is Cc1ccc2c(c1)c(=O)c1c(cnn1C)n2-c1cccc(I)c1.
What is the InChIKey of 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
The InChIKey is MHLWLPGZSMZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14IN3O/c1-11-6-7-15-14(8-11)18(23)17-16(10-20-21(17)2)22(15)13-5-3-4-12(19)9-13/h3-10H,1-2H3.
What are the key properties of 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one?
4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one has a molecular weight of 415.23 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 23442404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).