6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine

C16H16N4 — CID 63305883

IUPAC6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
SMILESCc1cccnc1CNc1ccc2ncccc2c1N
InChIInChI=1S/C16H16N4/c1-11-4-2-8-19-15(11)10-20-14-7-6-13-12(16(14)17)5-3-9-18-13/h2-9,20H,10,17H2,1H3
InChIKeyHWPOISBYMPDNFF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds3

About 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine

6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine (PubChem CID 63305883) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
PubChem CID63305883
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
SMILESCc1cccnc1CNc1ccc2ncccc2c1N
InChIInChI=1S/C16H16N4/c1-11-4-2-8-19-15(11)10-20-14-7-6-13-12(16(14)17)5-3-9-18-13/h2-9,20H,10,17H2,1H3
InChIKeyHWPOISBYMPDNFF-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine (CID 63305883) is 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine is Cc1cccnc1CNc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The InChIKey is HWPOISBYMPDNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-4-2-8-19-15(11)10-20-14-7-6-13-12(16(14)17)5-3-9-18-13/h2-9,20H,10,17H2,1H3.
What are the key properties of 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine is sourced from PubChem (CID 63305883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).