5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine

C16H16N4 — CID 60915115

IUPAC5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccncc2)c2cccnc12
InChIInChI=1S/C16H16N4/c17-14-3-4-15(13-2-1-8-20-16(13)14)19-11-7-12-5-9-18-10-6-12/h1-6,8-10,19H,7,11,17H2
InChIKeyMXKKHHUSWOOMJS-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.87
Rot. Bonds4

About 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine

5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine (PubChem CID 60915115) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
PubChem CID60915115
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccncc2)c2cccnc12
InChIInChI=1S/C16H16N4/c17-14-3-4-15(13-2-1-8-20-16(13)14)19-11-7-12-5-9-18-10-6-12/h1-6,8-10,19H,7,11,17H2
InChIKeyMXKKHHUSWOOMJS-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
5-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,8-diamine
CID 62996909
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine (CID 60915115) is 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine is Nc1ccc(NCCc2ccncc2)c2cccnc12.
What is the InChIKey of 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine?
The InChIKey is MXKKHHUSWOOMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-14-3-4-15(13-2-1-8-20-16(13)14)19-11-7-12-5-9-18-10-6-12/h1-6,8-10,19H,7,11,17H2.
What are the key properties of 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine?
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine is sourced from PubChem (CID 60915115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).