4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine

C17H24N4 — CID 103000573

IUPAC4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
SMILESCC1CCN(CCNc2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C17H24N4/c1-13-5-9-21(10-6-13)11-8-20-16-4-7-19-17-12-14(18)2-3-15(16)17/h2-4,7,12-13H,5-6,8-11,18H2,1H3,(H,19,20)
InChIKeyDUDFALXYIQKDPJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.96
Rot. Bonds4

About 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine

4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine (PubChem CID 103000573) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
PubChem CID103000573
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
SMILESCC1CCN(CCNc2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C17H24N4/c1-13-5-9-21(10-6-13)11-8-20-16-4-7-19-17-12-14(18)2-3-15(16)17/h2-4,7,12-13H,5-6,8-11,18H2,1H3,(H,19,20)
InChIKeyDUDFALXYIQKDPJ-UHFFFAOYSA-N
XLogP2.96
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.96
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-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
CID 61240847
5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
CID 142890139
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine (CID 103000573) is 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine is CC1CCN(CCNc2ccnc3cc(N)ccc23)CC1.
What is the InChIKey of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine?
The InChIKey is DUDFALXYIQKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-5-9-21(10-6-13)11-8-20-16-4-7-19-17-12-14(18)2-3-15(16)17/h2-4,7,12-13H,5-6,8-11,18H2,1H3,(H,19,20).
What are the key properties of 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine?
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).