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

C19H16FNO3 — CID 85470960

IUPAC1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
SMILESO=c1cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n1C1CC1
InChIInChI=1S/C19H16FNO3/c20-17-8-16-12(10-22)7-19(24)21(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,22-23H,3-4,10H2
InChIKeyJTFCPQJFTHQZFN-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.34
Rot. Bonds3

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

1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one (PubChem CID 85470960) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
PubChem CID85470960
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
SMILESO=c1cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n1C1CC1
InChIInChI=1S/C19H16FNO3/c20-17-8-16-12(10-22)7-19(24)21(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,22-23H,3-4,10H2
InChIKeyJTFCPQJFTHQZFN-UHFFFAOYSA-N
XLogP3.34
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one (CID 85470960) is 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one is O=c1cc(CO)c2cc(F)c(-c3ccc(O)cc3)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
The InChIKey is JTFCPQJFTHQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-17-8-16-12(10-22)7-19(24)21(13-3-4-13)18(16)9-15(17)11-1-5-14(23)6-2-11/h1-2,5-9,13,22-23H,3-4,10H2.
What are the key properties of 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one?
1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one has a molecular weight of 325.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one is sourced from PubChem (CID 85470960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).