2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one

C23H23N3O — CID 70196380

IUPAC2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one
SMILESCN(CCCNc1cc(=O)c2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O/c1-26(19-12-11-17-7-2-3-8-18(17)15-19)14-6-13-24-23-16-22(27)20-9-4-5-10-21(20)25-23/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,24,25,27)
InChIKeyUJYMQKJTYRESSD-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.62
Rot. Bonds6

About 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one

2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one (PubChem CID 70196380) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one
PubChem CID70196380
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one
SMILESCN(CCCNc1cc(=O)c2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O/c1-26(19-12-11-17-7-2-3-8-18(17)15-19)14-6-13-24-23-16-22(27)20-9-4-5-10-21(20)25-23/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,24,25,27)
InChIKeyUJYMQKJTYRESSD-UHFFFAOYSA-N
XLogP4.62
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
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 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one?
The IUPAC name of 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one (CID 70196380) is 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one?
The canonical SMILES for 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one is CN(CCCNc1cc(=O)c2ccccc2[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one?
The InChIKey is UJYMQKJTYRESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-26(19-12-11-17-7-2-3-8-18(17)15-19)14-6-13-24-23-16-22(27)20-9-4-5-10-21(20)25-23/h2-5,7-12,15-16H,6,13-14H2,1H3,(H2,24,25,27).
What are the key properties of 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one?
2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one has a molecular weight of 357.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(naphthalen-2-yl)amino]propylamino]-1H-quinolin-4-one is sourced from PubChem (CID 70196380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).