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

C17H18N4 — CID 82733268

IUPAC6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
SMILESCCc1cccnc1CNc1ccc2ncccc2c1N
InChIInChI=1S/C17H18N4/c1-2-12-5-3-9-20-16(12)11-21-15-8-7-14-13(17(15)18)6-4-10-19-14/h3-10,21H,2,11,18H2,1H3
InChIKeyBWNGIFDGTHWJOC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.39
Rot. Bonds4

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

6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine (PubChem CID 82733268) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
PubChem CID82733268
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
SMILESCCc1cccnc1CNc1ccc2ncccc2c1N
InChIInChI=1S/C17H18N4/c1-2-12-5-3-9-20-16(12)11-21-15-8-7-14-13(17(15)18)6-4-10-19-14/h3-10,21H,2,11,18H2,1H3
InChIKeyBWNGIFDGTHWJOC-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.39
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

6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-ethylquinoline-5,6-diamine
CID 43809532
8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
CID 103138899
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
3-N-[(3-ethyl-2-pyridinyl)methyl]-2-nitrobenzene-1,3-diamine
CID 82746862
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The IUPAC name of 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine (CID 82733268) is 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine.
What is the SMILES notation for 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The canonical SMILES for 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine is CCc1cccnc1CNc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
The InChIKey is BWNGIFDGTHWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-12-5-3-9-20-16(12)11-21-15-8-7-14-13(17(15)18)6-4-10-19-14/h3-10,21H,2,11,18H2,1H3.
What are the key properties of 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine?
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine is sourced from PubChem (CID 82733268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).