4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine

C15H17N5 — CID 106104004

IUPAC4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
SMILESCn1ccc(CCNc2ccnc3c(N)cccc23)n1
InChIInChI=1S/C15H17N5/c1-20-10-7-11(19-20)5-8-17-14-6-9-18-15-12(14)3-2-4-13(15)16/h2-4,6-7,9-10H,5,8,16H2,1H3,(H,17,18)
InChIKeyMVDPSFKPMMVBKT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.21
Rot. Bonds4

About 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine

4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine (PubChem CID 106104004) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
PubChem CID106104004
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
SMILESCn1ccc(CCNc2ccnc3c(N)cccc23)n1
InChIInChI=1S/C15H17N5/c1-20-10-7-11(19-20)5-8-17-14-6-9-18-15-12(14)3-2-4-13(15)16/h2-4,6-7,9-10H,5,8,16H2,1H3,(H,17,18)
InChIKeyMVDPSFKPMMVBKT-UHFFFAOYSA-N
XLogP2.21
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4,8-diamine
CID 83060979
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
3-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 114144102

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine (CID 106104004) is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine is Cn1ccc(CCNc2ccnc3c(N)cccc23)n1.
What is the InChIKey of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine?
The InChIKey is MVDPSFKPMMVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20-10-7-11(19-20)5-8-17-14-6-9-18-15-12(14)3-2-4-13(15)16/h2-4,6-7,9-10H,5,8,16H2,1H3,(H,17,18).
What are the key properties of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine?
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 106104004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).