(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one

C19H20FNO2 — CID 98789846

IUPAC(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc([C@@H](C)C(=O)N2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H20FNO2/c1-13(14-6-9-17(23-2)10-7-14)19(22)21-11-3-4-15-5-8-16(20)12-18(15)21/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
InChIKeyGMIRBCAGXZRUNI-CYBMUJFWSA-N
MW313.37 g/mol
LogP3.92
Rot. Bonds3

About (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one

(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one (PubChem CID 98789846) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one
PubChem CID98789846
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc([C@@H](C)C(=O)N2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H20FNO2/c1-13(14-6-9-17(23-2)10-7-14)19(22)21-11-3-4-15-5-8-16(20)12-18(15)21/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
InChIKeyGMIRBCAGXZRUNI-CYBMUJFWSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one?
The IUPAC name of (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one (CID 98789846) is (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one is COc1ccc([C@@H](C)C(=O)N2CCCc3ccc(F)cc32)cc1.
What is the InChIKey of (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one?
The InChIKey is GMIRBCAGXZRUNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(14-6-9-17(23-2)10-7-14)19(22)21-11-3-4-15-5-8-16(20)12-18(15)21/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one?
(2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one has a molecular weight of 313.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 98789846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).