7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one

C10H11FN2O — CID 145472330

IUPAC7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1cc(F)c2c(c1)NC(=O)CC2
InChIInChI=1S/C10H11FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h3-4H,1-2,5,12H2,(H,13,14)
InChIKeyVEXQEBNIEGHZQT-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.17
Rot. Bonds1

About 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one

7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 145472330) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID145472330
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1cc(F)c2c(c1)NC(=O)CC2
InChIInChI=1S/C10H11FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h3-4H,1-2,5,12H2,(H,13,14)
InChIKeyVEXQEBNIEGHZQT-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(aminomethyl)-8-fluoro-4H-1,4-benzoxazin-3-one;hydrochloride
CID 91666287
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
6-fluoro-8-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 88976977
1-[4-(aminomethyl)-2,6-difluorophenyl]-1,4-diazepan-5-one
CID 63077166
6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
CID 168871932
5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82213232
5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82213230
7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
CID 169149189
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
5-hydroxy-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 155040320

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 145472330) is 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one is NCc1cc(F)c2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VEXQEBNIEGHZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-3-6(5-12)4-9-7(8)1-2-10(14)13-9/h3-4H,1-2,5,12H2,(H,13,14).
What are the key properties of 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 145472330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).