8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine

C18H19N3 — CID 43450167

IUPAC8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
SMILESCC(C)c1ccccc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C18H19N3/c1-12(2)13-6-3-4-8-16(13)21-17-10-9-15(19)14-7-5-11-20-18(14)17/h3-12,21H,19H2,1-2H3
InChIKeyMTFLVFCCUPETNY-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.68
Rot. Bonds3

About 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine

8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine (PubChem CID 43450167) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
PubChem CID43450167
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
SMILESCC(C)c1ccccc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C18H19N3/c1-12(2)13-6-3-4-8-16(13)21-17-10-9-15(19)14-7-5-11-20-18(14)17/h3-12,21H,19H2,1-2H3
InChIKeyMTFLVFCCUPETNY-UHFFFAOYSA-N
XLogP4.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.68
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

8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-(3-ethyl-1-methylpyrazol-4-yl)quinoline-5,8-diamine
CID 107462124
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine (CID 43450167) is 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine is CC(C)c1ccccc1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine?
The InChIKey is MTFLVFCCUPETNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12(2)13-6-3-4-8-16(13)21-17-10-9-15(19)14-7-5-11-20-18(14)17/h3-12,21H,19H2,1-2H3.
What are the key properties of 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine?
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).