4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine

C16H17N3S — CID 103001503

IUPAC4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
SMILESCCc1ccsc1CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H17N3S/c1-2-11-6-8-20-16(11)10-19-14-5-7-18-15-9-12(17)3-4-13(14)15/h3-9H,2,10,17H2,1H3,(H,18,19)
InChIKeyIXKGJXIYQDAOEL-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.05
Rot. Bonds4

About 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine

4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine (PubChem CID 103001503) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
PubChem CID103001503
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
SMILESCCc1ccsc1CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H17N3S/c1-2-11-6-8-20-16(11)10-19-14-5-7-18-15-9-12(17)3-4-13(14)15/h3-9H,2,10,17H2,1H3,(H,18,19)
InChIKeyIXKGJXIYQDAOEL-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.05
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

4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001265
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752
4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
CID 103000881
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
CID 103001288
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
1-N-[(3-ethylthiophen-2-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 113325349

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine (CID 103001503) is 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine is CCc1ccsc1CNc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine?
The InChIKey is IXKGJXIYQDAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-11-6-8-20-16(11)10-19-14-5-7-18-15-9-12(17)3-4-13(14)15/h3-9H,2,10,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine?
4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine has a molecular weight of 283.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).