3-(aminomethyl)-7-fluoro-1H-quinolin-4-one

C10H9FN2O — CID 82504898

IUPAC3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
SMILESNCc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H9FN2O/c11-7-1-2-8-9(3-7)13-5-6(4-12)10(8)14/h1-3,5H,4,12H2,(H,13,14)
InChIKeyUFQHHQFNCZPPSW-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.13
Rot. Bonds1

About 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one

3-(aminomethyl)-7-fluoro-1H-quinolin-4-one (PubChem CID 82504898) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
PubChem CID82504898
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
SMILESNCc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H9FN2O/c11-7-1-2-8-9(3-7)13-5-6(4-12)10(8)14/h1-3,5H,4,12H2,(H,13,14)
InChIKeyUFQHHQFNCZPPSW-UHFFFAOYSA-N
XLogP1.13
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
4-amino-2-[(6-fluoro-1H-indol-3-yl)methyl]butanoic acid
CID 139519329
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
2-amino-4-(6-fluoro-1H-indol-3-yl)butanal;molecular hydrogen;hydrobromide
CID 145225925
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one (CID 82504898) is 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one is NCc1c[nH]c2cc(F)ccc2c1=O.
What is the InChIKey of 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one?
The InChIKey is UFQHHQFNCZPPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-7-1-2-8-9(3-7)13-5-6(4-12)10(8)14/h1-3,5H,4,12H2,(H,13,14).
What are the key properties of 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one?
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one has a molecular weight of 192.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 82504898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).