2-[(tert-butylamino)methyl]-1H-quinolin-4-one

C14H18N2O — CID 59768370

IUPAC2-[(tert-butylamino)methyl]-1H-quinolin-4-one
SMILESCC(C)(C)NCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-9-10-8-13(17)11-6-4-5-7-12(11)16-10/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyKNIIMVHHXSMLTD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds2

About 2-[(tert-butylamino)methyl]-1H-quinolin-4-one

2-[(tert-butylamino)methyl]-1H-quinolin-4-one (PubChem CID 59768370) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-1H-quinolin-4-one
PubChem CID59768370
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(tert-butylamino)methyl]-1H-quinolin-4-one
SMILESCC(C)(C)NCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H18N2O/c1-14(2,3)15-9-10-8-13(17)11-6-4-5-7-12(11)16-10/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKeyKNIIMVHHXSMLTD-UHFFFAOYSA-N
XLogP2.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(tert-butylamino)methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(tert-butylamino)methyl]-1H-quinolin-4-one (CID 59768370) is 2-[(tert-butylamino)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(tert-butylamino)methyl]-1H-quinolin-4-one is CC(C)(C)NCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-1H-quinolin-4-one?
The InChIKey is KNIIMVHHXSMLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)15-9-10-8-13(17)11-6-4-5-7-12(11)16-10/h4-8,15H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(tert-butylamino)methyl]-1H-quinolin-4-one?
2-[(tert-butylamino)methyl]-1H-quinolin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 59768370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).