7-[amino(phenyl)methyl]quinolin-8-amine

C16H15N3 — CID 174698736

IUPAC7-[amino(phenyl)methyl]quinolin-8-amine
SMILESNc1c(C(N)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C16H15N3/c17-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-19-16(12)15(13)18/h1-10,14H,17-18H2
InChIKeyFIVCWBZCFOOVIR-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.87
Rot. Bonds2

About 7-[amino(phenyl)methyl]quinolin-8-amine

7-[amino(phenyl)methyl]quinolin-8-amine (PubChem CID 174698736) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-[amino(phenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name7-[amino(phenyl)methyl]quinolin-8-amine
PubChem CID174698736
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name7-[amino(phenyl)methyl]quinolin-8-amine
SMILESNc1c(C(N)c2ccccc2)ccc2cccnc12
InChIInChI=1S/C16H15N3/c17-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-19-16(12)15(13)18/h1-10,14H,17-18H2
InChIKeyFIVCWBZCFOOVIR-UHFFFAOYSA-N
XLogP2.87
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81223704
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765

Frequently Asked Questions

What is the IUPAC name of 7-[amino(phenyl)methyl]quinolin-8-amine?
The IUPAC name of 7-[amino(phenyl)methyl]quinolin-8-amine (CID 174698736) is 7-[amino(phenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 7-[amino(phenyl)methyl]quinolin-8-amine?
The canonical SMILES for 7-[amino(phenyl)methyl]quinolin-8-amine is Nc1c(C(N)c2ccccc2)ccc2cccnc12.
What is the InChIKey of 7-[amino(phenyl)methyl]quinolin-8-amine?
The InChIKey is FIVCWBZCFOOVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-19-16(12)15(13)18/h1-10,14H,17-18H2.
What are the key properties of 7-[amino(phenyl)methyl]quinolin-8-amine?
7-[amino(phenyl)methyl]quinolin-8-amine has a molecular weight of 249.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(phenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 174698736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).