7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine

C16H22FN3 — CID 83165831

IUPAC7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
SMILESCCCCCC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H22FN3/c1-3-4-5-7-11(2)20-16-13(17)10-14(18)12-8-6-9-19-15(12)16/h6,8-11,20H,3-5,7,18H2,1-2H3
InChIKeySHTBDKTWVAHSJQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.34
Rot. Bonds6

About 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine

7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine (PubChem CID 83165831) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
PubChem CID83165831
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
SMILESCCCCCC(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H22FN3/c1-3-4-5-7-11(2)20-16-13(17)10-14(18)12-8-6-9-19-15(12)16/h6,8-11,20H,3-5,7,18H2,1-2H3
InChIKeySHTBDKTWVAHSJQ-UHFFFAOYSA-N
XLogP4.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 83164952
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine (CID 83165831) is 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine is CCCCCC(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine?
The InChIKey is SHTBDKTWVAHSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-4-5-7-11(2)20-16-13(17)10-14(18)12-8-6-9-19-15(12)16/h6,8-11,20H,3-5,7,18H2,1-2H3.
What are the key properties of 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine?
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine has a molecular weight of 275.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine is sourced from PubChem (CID 83165831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).