2-(ethylaminomethyl)-1H-quinolin-4-one

C12H14N2O — CID 71077140

IUPAC2-(ethylaminomethyl)-1H-quinolin-4-one
SMILESCCNCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-2-13-8-9-7-12(15)10-5-3-4-6-11(10)14-9/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyORTQUSYUQCKEBR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.64
Rot. Bonds3

About 2-(ethylaminomethyl)-1H-quinolin-4-one

2-(ethylaminomethyl)-1H-quinolin-4-one (PubChem CID 71077140) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(ethylaminomethyl)-1H-quinolin-4-one
PubChem CID71077140
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(ethylaminomethyl)-1H-quinolin-4-one
SMILESCCNCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H14N2O/c1-2-13-8-9-7-12(15)10-5-3-4-6-11(10)14-9/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyORTQUSYUQCKEBR-UHFFFAOYSA-N
XLogP1.64
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-1H-quinolin-4-one
CID 59768370
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
CID 139586265
2-(5-methylhexyl)-1H-quinolin-4-one
CID 162656936
2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
CID 45194773
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
CID 145019261
4-methyl-N-[(4-oxo-1H-quinolin-2-yl)methyl]morpholine-3-carboxamide
CID 167968374
2-(3,7-dimethylocta-2,6-dienyl)-1H-quinolin-4-one
CID 90993650
2-[(3Z,5Z,7S)-7-hydroxynona-3,5-dienyl]-1H-quinolin-4-one
CID 163021250
N-(4-oxo-1H-quinolin-2-yl)formamide
CID 87078948

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-1H-quinolin-4-one?
The IUPAC name of 2-(ethylaminomethyl)-1H-quinolin-4-one (CID 71077140) is 2-(ethylaminomethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(ethylaminomethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(ethylaminomethyl)-1H-quinolin-4-one is CCNCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-1H-quinolin-4-one?
The InChIKey is ORTQUSYUQCKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-13-8-9-7-12(15)10-5-3-4-6-11(10)14-9/h3-7,13H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-(ethylaminomethyl)-1H-quinolin-4-one?
2-(ethylaminomethyl)-1H-quinolin-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-1H-quinolin-4-one is sourced from PubChem (CID 71077140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).