N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine

C24H25N3 — CID 10450866

IUPACN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C24H25N3/c1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26)
InChIKeyFICYCFGUUJWZSL-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.42
Rot. Bonds6

About N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine (PubChem CID 10450866) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine
PubChem CID10450866
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C24H25N3/c1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26)
InChIKeyFICYCFGUUJWZSL-UHFFFAOYSA-N
XLogP5.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine (CID 10450866) is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine is CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is FICYCFGUUJWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-27(2)15-7-14-25-24-17-23(26-22-11-6-5-10-21(22)24)20-13-12-18-8-3-4-9-19(18)16-20/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,26).
What are the key properties of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 355.49 g/mol, XLogP of 5.42, 6 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-2-ylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 10450866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).