7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine

C16H16FN3O — CID 83166149

IUPAC7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
SMILESCC(Cc1ccco1)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H16FN3O/c1-10(8-11-4-3-7-21-11)20-16-13(17)9-14(18)12-5-2-6-19-15(12)16/h2-7,9-10,20H,8,18H2,1H3
InChIKeyMDNBFOAMBFVZNY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.59
Rot. Bonds4

About 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine

7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine (PubChem CID 83166149) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
PubChem CID83166149
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
SMILESCC(Cc1ccco1)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H16FN3O/c1-10(8-11-4-3-7-21-11)20-16-13(17)9-14(18)12-5-2-6-19-15(12)16/h2-7,9-10,20H,8,18H2,1H3
InChIKeyMDNBFOAMBFVZNY-UHFFFAOYSA-N
XLogP3.59
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

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-heptan-2-ylquinoline-5,8-diamine
CID 83165831
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
6-bromo-4-N-[1-(furan-2-yl)propan-2-yl]quinoline-3,4-diamine
CID 61469421
3-[(5-amino-7-fluoroquinolin-8-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183325
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine (CID 83166149) is 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine is CC(Cc1ccco1)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine?
The InChIKey is MDNBFOAMBFVZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10(8-11-4-3-7-21-11)20-16-13(17)9-14(18)12-5-2-6-19-15(12)16/h2-7,9-10,20H,8,18H2,1H3.
What are the key properties of 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine?
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine has a molecular weight of 285.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine is sourced from PubChem (CID 83166149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).