N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine

C24H31N5 — CID 10000434

IUPACN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C24H31N5/c1-27(2)13-12-25-24-18-23(26-22-7-5-4-6-21(22)24)19-8-10-20(11-9-19)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyVLRDLNVGQBSZFM-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.63
Rot. Bonds6

About N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine (PubChem CID 10000434) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
PubChem CID10000434
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12
InChIInChI=1S/C24H31N5/c1-27(2)13-12-25-24-18-23(26-22-7-5-4-6-21(22)24)19-8-10-20(11-9-19)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26)
InChIKeyVLRDLNVGQBSZFM-UHFFFAOYSA-N
XLogP3.63
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine (CID 10000434) is N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine is CN(C)CCNc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is VLRDLNVGQBSZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-27(2)13-12-25-24-18-23(26-22-7-5-4-6-21(22)24)19-8-10-20(11-9-19)29-16-14-28(3)15-17-29/h4-11,18H,12-17H2,1-3H3,(H,25,26).
What are the key properties of N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 389.55 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 10000434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).