4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine

C18H19N3 — CID 83066033

IUPAC4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
SMILESCC(Cc1ccccc1)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C18H19N3/c1-13(12-14-6-3-2-4-7-14)21-17-10-11-20-18-15(17)8-5-9-16(18)19/h2-11,13H,12,19H2,1H3,(H,20,21)
InChIKeyDRFAHAKYRUJTLW-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.86
Rot. Bonds4

About 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine

4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine (PubChem CID 83066033) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
PubChem CID83066033
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
SMILESCC(Cc1ccccc1)Nc1ccnc2c(N)cccc12
InChIInChI=1S/C18H19N3/c1-13(12-14-6-3-2-4-7-14)21-17-10-11-20-18-15(17)8-5-9-16(18)19/h2-11,13H,12,19H2,1H3,(H,20,21)
InChIKeyDRFAHAKYRUJTLW-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.86
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

4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
8-N-(1-phenylpropan-2-yl)isoquinoline-5,8-diamine
CID 103138213
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
2-[4-[(8-aminoquinolin-4-yl)amino]pentyl-ethylamino]ethanol
CID 20650144
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
4-benzylsulfanylquinolin-8-amine
CID 83060767
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine (CID 83066033) is 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine is CC(Cc1ccccc1)Nc1ccnc2c(N)cccc12.
What is the InChIKey of 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine?
The InChIKey is DRFAHAKYRUJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(12-14-6-3-2-4-7-14)21-17-10-11-20-18-15(17)8-5-9-16(18)19/h2-11,13H,12,19H2,1H3,(H,20,21).
What are the key properties of 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine?
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine is sourced from PubChem (CID 83066033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).