N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine

C16H23N5 — CID 83010794

IUPACN-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cccc3cccnc23)CC1
InChIInChI=1S/C16H23N5/c1-20-8-10-21(11-9-20)19-15(12-17)14-6-2-4-13-5-3-7-18-16(13)14/h2-7,15,19H,8-12,17H2,1H3
InChIKeySYUUPVZDGQJKKZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.99
Rot. Bonds4

About N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine

N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 83010794) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
PubChem CID83010794
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
SMILESCN1CCN(NC(CN)c2cccc3cccnc23)CC1
InChIInChI=1S/C16H23N5/c1-20-8-10-21(11-9-20)19-15(12-17)14-6-2-4-13-5-3-7-18-16(13)14/h2-7,15,19H,8-12,17H2,1H3
InChIKeySYUUPVZDGQJKKZ-UHFFFAOYSA-N
XLogP0.99
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114544546
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
CID 64568893
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
[2-(1-methylpyrazol-3-yl)-1-quinolin-8-ylethyl]hydrazine
CID 105329538
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine (CID 83010794) is N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine is CN1CCN(NC(CN)c2cccc3cccnc23)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is SYUUPVZDGQJKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-8-10-21(11-9-20)19-15(12-17)14-6-2-4-13-5-3-7-18-16(13)14/h2-7,15,19H,8-12,17H2,1H3.
What are the key properties of N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine?
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 83010794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).