7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one

C20H19FN2O2 — CID 122523139

IUPAC7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
SMILESNCc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1
InChIInChI=1S/C20H19FN2O2/c21-18-8-17-14(11-24)7-20(25)23(15-5-6-15)19(17)9-16(18)13-3-1-12(10-22)2-4-13/h1-4,7-9,15,24H,5-6,10-11,22H2
InChIKeyMDHOSGNWMXKAMC-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.09
Rot. Bonds4

About 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one

7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one (PubChem CID 122523139) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one.

Molecular Properties

Compound Name7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
PubChem CID122523139
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one
SMILESNCc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1
InChIInChI=1S/C20H19FN2O2/c21-18-8-17-14(11-24)7-20(25)23(15-5-6-15)19(17)9-16(18)13-3-1-12(10-22)2-4-13/h1-4,7-9,15,24H,5-6,10-11,22H2
InChIKeyMDHOSGNWMXKAMC-UHFFFAOYSA-N
XLogP3.09
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The IUPAC name of 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one (CID 122523139) is 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one.
What is the SMILES notation for 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The canonical SMILES for 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one is NCc1ccc(-c2cc3c(cc2F)c(CO)cc(=O)n3C2CC2)cc1.
What is the InChIKey of 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
The InChIKey is MDHOSGNWMXKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-18-8-17-14(11-24)7-20(25)23(15-5-6-15)19(17)9-16(18)13-3-1-12(10-22)2-4-13/h1-4,7-9,15,24H,5-6,10-11,22H2.
What are the key properties of 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one?
7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one has a molecular weight of 338.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)quinolin-2-one is sourced from PubChem (CID 122523139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).