3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one

C19H19ClFNO2 — CID 159302986

IUPAC3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
SMILESCc1ccc(CCC(=O)[C@@]2(F)CC[C@@H](O)c3ncccc32)c(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c1-12-4-5-13(15(20)11-12)6-7-17(24)19(21)9-8-16(23)18-14(19)3-2-10-22-18/h2-5,10-11,16,23H,6-9H2,1H3/t16-,19-/m1/s1
InChIKeyLBOJKAYYMJBIHW-VQIMIIECSA-N
MW347.82 g/mol
LogP4.24
Rot. Bonds4

About 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one

3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one (PubChem CID 159302986) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
PubChem CID159302986
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
SMILESCc1ccc(CCC(=O)[C@@]2(F)CC[C@@H](O)c3ncccc32)c(Cl)c1
InChIInChI=1S/C19H19ClFNO2/c1-12-4-5-13(15(20)11-12)6-7-17(24)19(21)9-8-16(23)18-14(19)3-2-10-22-18/h2-5,10-11,16,23H,6-9H2,1H3/t16-,19-/m1/s1
InChIKeyLBOJKAYYMJBIHW-VQIMIIECSA-N
XLogP4.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one (CID 159302986) is 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one is Cc1ccc(CCC(=O)[C@@]2(F)CC[C@@H](O)c3ncccc32)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
The InChIKey is LBOJKAYYMJBIHW-VQIMIIECSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-12-4-5-13(15(20)11-12)6-7-17(24)19(21)9-8-16(23)18-14(19)3-2-10-22-18/h2-5,10-11,16,23H,6-9H2,1H3/t16-,19-/m1/s1.
What are the key properties of 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one?
3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one has a molecular weight of 347.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one is sourced from PubChem (CID 159302986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).