1-[(dimethylamino)methyl]quinolin-2-one

C12H14N2O — CID 143777821

IUPAC1-[(dimethylamino)methyl]quinolin-2-one
SMILESCN(C)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H14N2O/c1-13(2)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3
InChIKeyCXBHNQPTTNKUON-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.52
Rot. Bonds2

About 1-[(dimethylamino)methyl]quinolin-2-one

1-[(dimethylamino)methyl]quinolin-2-one (PubChem CID 143777821) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]quinolin-2-one
PubChem CID143777821
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[(dimethylamino)methyl]quinolin-2-one
SMILESCN(C)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H14N2O/c1-13(2)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3
InChIKeyCXBHNQPTTNKUON-UHFFFAOYSA-N
XLogP1.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]quinolin-2-one?
The IUPAC name of 1-[(dimethylamino)methyl]quinolin-2-one (CID 143777821) is 1-[(dimethylamino)methyl]quinolin-2-one.
What is the SMILES notation for 1-[(dimethylamino)methyl]quinolin-2-one?
The canonical SMILES for 1-[(dimethylamino)methyl]quinolin-2-one is CN(C)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[(dimethylamino)methyl]quinolin-2-one?
The InChIKey is CXBHNQPTTNKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-13(2)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(dimethylamino)methyl]quinolin-2-one?
1-[(dimethylamino)methyl]quinolin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]quinolin-2-one is sourced from PubChem (CID 143777821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).