4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one

C19H17FN2O2 — CID 86300291

IUPAC4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one
SMILESNCc1cc(=O)n(C2CC2)c2cc(-c3ccc(O)cc3)c(F)cc12
InChIInChI=1S/C19H17FN2O2/c20-17-8-16-12(10-21)7-19(24)22(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,23H,3-4,10,21H2
InChIKeyDTQKKLJCJJLBTF-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.31
Rot. Bonds3

About 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one

4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one (PubChem CID 86300291) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one
PubChem CID86300291
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one
SMILESNCc1cc(=O)n(C2CC2)c2cc(-c3ccc(O)cc3)c(F)cc12
InChIInChI=1S/C19H17FN2O2/c20-17-8-16-12(10-21)7-19(24)22(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,23H,3-4,10,21H2
InChIKeyDTQKKLJCJJLBTF-UHFFFAOYSA-N
XLogP3.31
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one?
The IUPAC name of 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one (CID 86300291) is 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one is NCc1cc(=O)n(C2CC2)c2cc(-c3ccc(O)cc3)c(F)cc12.
What is the InChIKey of 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one?
The InChIKey is DTQKKLJCJJLBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-17-8-16-12(10-21)7-19(24)22(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,23H,3-4,10,21H2.
What are the key properties of 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one?
4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-2-one is sourced from PubChem (CID 86300291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).