N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine

C23H23N3 — CID 10020216

IUPACN',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C23H23N3/c1-26(2)15-14-24-22-16-23(25-21-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyRLCLXTGISFTJFU-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.03
Rot. Bonds5

About N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 10020216) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine
PubChem CID10020216
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C23H23N3/c1-26(2)15-14-24-22-16-23(25-21-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyRLCLXTGISFTJFU-UHFFFAOYSA-N
XLogP5.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine (CID 10020216) is N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine is CN(C)CCNc1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is RLCLXTGISFTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-26(2)15-14-24-22-16-23(25-21-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-13,16H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 341.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-naphthalen-1-ylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 10020216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).