methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate

C20H16BrFN2O3 — CID 52538002

IUPACmethyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cc2ccc(F)cc2nc1C)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O3/c1-11-16(9-13-5-8-15(22)10-17(13)23-11)19(25)24-18(20(26)27-2)12-3-6-14(21)7-4-12/h3-10,18H,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyFSNQGMCFIGXOSN-GOSISDBHSA-N
MW431.26 g/mol
LogP4.09
Rot. Bonds4

About methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate

methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate (PubChem CID 52538002) has the molecular formula C20H16BrFN2O3 and a molecular weight of 431.26 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
PubChem CID52538002
Molecular FormulaC20H16BrFN2O3
Molecular Weight431.26 g/mol
Exact Mass430.03
IUPAC Namemethyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cc2ccc(F)cc2nc1C)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O3/c1-11-16(9-13-5-8-15(22)10-17(13)23-11)19(25)24-18(20(26)27-2)12-3-6-14(21)7-4-12/h3-10,18H,1-2H3,(H,24,25)/t18-/m1/s1
InChIKeyFSNQGMCFIGXOSN-GOSISDBHSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate with MolForge

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Related Compounds

methyl 2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 51128333
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 18126967
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
CID 46808074
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
CID 60607922
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate (CID 52538002) is methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate is COC(=O)[C@H](NC(=O)c1cc2ccc(F)cc2nc1C)c1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate?
The InChIKey is FSNQGMCFIGXOSN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16BrFN2O3/c1-11-16(9-13-5-8-15(22)10-17(13)23-11)19(25)24-18(20(26)27-2)12-3-6-14(21)7-4-12/h3-10,18H,1-2H3,(H,24,25)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate?
methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate has a molecular weight of 431.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 52538002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).