N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C24H30FN5 — CID 15272246

IUPACN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccc(F)cc12
InChIInChI=1S/C24H30FN5/c1-28(2)11-10-26-22-17-23(27-21-9-8-18(25)16-20(21)22)19-6-4-5-7-24(19)30-14-12-29(3)13-15-30/h4-9,16-17H,10-15H2,1-3H3,(H,26,27)
InChIKeyRNLNWZISPNZTFA-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.77
Rot. Bonds6

About N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 15272246) has the molecular formula C24H30FN5 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID15272246
Molecular FormulaC24H30FN5
Molecular Weight407.54 g/mol
Exact Mass407.25
IUPAC NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccc(F)cc12
InChIInChI=1S/C24H30FN5/c1-28(2)11-10-26-22-17-23(27-21-9-8-18(25)16-20(21)22)19-6-4-5-7-24(19)30-14-12-29(3)13-15-30/h4-9,16-17H,10-15H2,1-3H3,(H,26,27)
InChIKeyRNLNWZISPNZTFA-UHFFFAOYSA-N
XLogP3.77
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 15272246) is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(-c2ccccc2N2CCN(C)CC2)nc2ccc(F)cc12.
What is the InChIKey of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RNLNWZISPNZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5/c1-28(2)11-10-26-22-17-23(27-21-9-8-18(25)16-20(21)22)19-6-4-5-7-24(19)30-14-12-29(3)13-15-30/h4-9,16-17H,10-15H2,1-3H3,(H,26,27).
What are the key properties of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 407.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 15272246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).