8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine

C15H16FN5 — CID 115989159

IUPAC8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCc1nn(C)cc1CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H16FN5/c1-9-10(8-21(2)20-9)7-19-15-12(16)6-13(17)11-4-3-5-18-14(11)15/h3-6,8,19H,7,17H2,1-2H3
InChIKeyDDDFIZJPYFSQJV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.61
Rot. Bonds3

About 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine

8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 115989159) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine
PubChem CID115989159
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine
SMILESCc1nn(C)cc1CNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H16FN5/c1-9-10(8-21(2)20-9)7-19-15-12(16)6-13(17)11-4-3-5-18-14(11)15/h3-6,8,19H,7,17H2,1-2H3
InChIKeyDDDFIZJPYFSQJV-UHFFFAOYSA-N
XLogP2.61
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine (CID 115989159) is 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine is Cc1nn(C)cc1CNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is DDDFIZJPYFSQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-9-10(8-21(2)20-9)7-19-15-12(16)6-13(17)11-4-3-5-18-14(11)15/h3-6,8,19H,7,17H2,1-2H3.
What are the key properties of 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine?
8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 285.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 115989159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).