methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate

C18H26FNO2 — CID 125044410

IUPACmethyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C18H26FNO2/c1-11(2)16(17(21)22-6)20-15-8-7-13(19)9-14(15)12(3)10-18(20,4)5/h7-9,11-12,16H,10H2,1-6H3/t12-,16-/m1/s1
InChIKeyDUTPLQYTMLZYHP-MLGOLLRUSA-N
MW307.41 g/mol
LogP4.12
Rot. Bonds3

About methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate

methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate (PubChem CID 125044410) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
PubChem CID125044410
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Namemethyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C18H26FNO2/c1-11(2)16(17(21)22-6)20-15-8-7-13(19)9-14(15)12(3)10-18(20,4)5/h7-9,11-12,16H,10H2,1-6H3/t12-,16-/m1/s1
InChIKeyDUTPLQYTMLZYHP-MLGOLLRUSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate with MolForge

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Related Compounds

methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132650058
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
(2S)-3-methyl-2-[(4S)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044601
2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
CID 133219812
methyl 2-[(5E)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate
CID 132668983
1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 91670616
2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
CID 133219815
(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340
ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate
CID 101138357
methyl 2-(6-fluoro-4-methylidene-1,1-dioxo-3H-1λ6,2-benzothiazin-2-yl)-3-methylbutanoate
CID 24868074
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate (CID 125044410) is methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate is COC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2[C@H](C)CC1(C)C.
What is the InChIKey of methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate?
The InChIKey is DUTPLQYTMLZYHP-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-11(2)16(17(21)22-6)20-15-8-7-13(19)9-14(15)12(3)10-18(20,4)5/h7-9,11-12,16H,10H2,1-6H3/t12-,16-/m1/s1.
What are the key properties of methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate?
methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate has a molecular weight of 307.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate is sourced from PubChem (CID 125044410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).