3,5-bis(2-phenylethyl)quinoline-2,4-diamine

C25H25N3 — CID 19094054

IUPAC3,5-bis(2-phenylethyl)quinoline-2,4-diamine
SMILESNc1nc2cccc(CCc3ccccc3)c2c(N)c1CCc1ccccc1
InChIInChI=1S/C25H25N3/c26-24-21(17-15-19-10-5-2-6-11-19)25(27)28-22-13-7-12-20(23(22)24)16-14-18-8-3-1-4-9-18/h1-13H,14-17H2,(H4,26,27,28)
InChIKeyNEVAIKWASAYCBB-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.97
Rot. Bonds6

About 3,5-bis(2-phenylethyl)quinoline-2,4-diamine

3,5-bis(2-phenylethyl)quinoline-2,4-diamine (PubChem CID 19094054) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3,5-bis(2-phenylethyl)quinoline-2,4-diamine.

Molecular Properties

Compound Name3,5-bis(2-phenylethyl)quinoline-2,4-diamine
PubChem CID19094054
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name3,5-bis(2-phenylethyl)quinoline-2,4-diamine
SMILESNc1nc2cccc(CCc3ccccc3)c2c(N)c1CCc1ccccc1
InChIInChI=1S/C25H25N3/c26-24-21(17-15-19-10-5-2-6-11-19)25(27)28-22-13-7-12-20(23(22)24)16-14-18-8-3-1-4-9-18/h1-13H,14-17H2,(H4,26,27,28)
InChIKeyNEVAIKWASAYCBB-UHFFFAOYSA-N
XLogP4.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-phenylethyl)quinoline-2,4-diamine?
The IUPAC name of 3,5-bis(2-phenylethyl)quinoline-2,4-diamine (CID 19094054) is 3,5-bis(2-phenylethyl)quinoline-2,4-diamine.
What is the SMILES notation for 3,5-bis(2-phenylethyl)quinoline-2,4-diamine?
The canonical SMILES for 3,5-bis(2-phenylethyl)quinoline-2,4-diamine is Nc1nc2cccc(CCc3ccccc3)c2c(N)c1CCc1ccccc1.
What is the InChIKey of 3,5-bis(2-phenylethyl)quinoline-2,4-diamine?
The InChIKey is NEVAIKWASAYCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c26-24-21(17-15-19-10-5-2-6-11-19)25(27)28-22-13-7-12-20(23(22)24)16-14-18-8-3-1-4-9-18/h1-13H,14-17H2,(H4,26,27,28).
What are the key properties of 3,5-bis(2-phenylethyl)quinoline-2,4-diamine?
3,5-bis(2-phenylethyl)quinoline-2,4-diamine has a molecular weight of 367.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-phenylethyl)quinoline-2,4-diamine is sourced from PubChem (CID 19094054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).