(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone

C18H18FNO3 — CID 123147441

IUPAC(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone
SMILESCC1(C)CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O
InChIInChI=1S/C18H18FNO3/c1-18(2)8-7-11-5-3-4-6-14(11)20(18)17(23)12-9-13(19)16(22)10-15(12)21/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKeyKHEGMDHALGWNCM-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.61
Rot. Bonds1

About (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone

(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone (PubChem CID 123147441) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone
PubChem CID123147441
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone
SMILESCC1(C)CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O
InChIInChI=1S/C18H18FNO3/c1-18(2)8-7-11-5-3-4-6-14(11)20(18)17(23)12-9-13(19)16(22)10-15(12)21/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKeyKHEGMDHALGWNCM-UHFFFAOYSA-N
XLogP3.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone?
The IUPAC name of (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone (CID 123147441) is (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone?
The canonical SMILES for (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone is CC1(C)CCc2ccccc2N1C(=O)c1cc(F)c(O)cc1O.
What is the InChIKey of (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone?
The InChIKey is KHEGMDHALGWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-18(2)8-7-11-5-3-4-6-14(11)20(18)17(23)12-9-13(19)16(22)10-15(12)21/h3-6,9-10,21-22H,7-8H2,1-2H3.
What are the key properties of (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone?
(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone has a molecular weight of 315.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3,4-dihydroquinolin-1-yl)-(5-fluoro-2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 123147441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).