N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C23H31N5 — CID 15272243

IUPACN-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccccc1-c1cc(NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C23H31N5/c1-27(2)15-13-24-20-11-7-5-9-18(20)23-17-22(25-14-16-28(3)4)19-10-6-8-12-21(19)26-23/h5-12,17,24H,13-16H2,1-4H3,(H,25,26)
InChIKeyIHBVRBIJGDXFLG-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 15272243) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID15272243
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccccc1-c1cc(NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C23H31N5/c1-27(2)15-13-24-20-11-7-5-9-18(20)23-17-22(25-14-16-28(3)4)19-10-6-8-12-21(19)26-23/h5-12,17,24H,13-16H2,1-4H3,(H,25,26)
InChIKeyIHBVRBIJGDXFLG-UHFFFAOYSA-N
XLogP3.85
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 15272243) is N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccccc1-c1cc(NCCN(C)C)c2ccccc2n1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IHBVRBIJGDXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-27(2)15-13-24-20-11-7-5-9-18(20)23-17-22(25-14-16-28(3)4)19-10-6-8-12-21(19)26-23/h5-12,17,24H,13-16H2,1-4H3,(H,25,26).
What are the key properties of N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 377.54 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethylamino]quinolin-2-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 15272243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).