methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate

C21H19FN2O3 — CID 95155866

IUPACmethyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(NC(=O)c1cc(C)nc2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-13-11-17(16-10-9-15(22)12-18(16)23-13)19(25)24-21(2,20(26)27-3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyCVMJFDHAKNRZOJ-OAQYLSRUSA-N
MW366.39 g/mol
LogP3.50
Rot. Bonds4

About methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate

methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate (PubChem CID 95155866) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate
PubChem CID95155866
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Namemethyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(NC(=O)c1cc(C)nc2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C21H19FN2O3/c1-13-11-17(16-10-9-15(22)12-18(16)23-13)19(25)24-21(2,20(26)27-3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyCVMJFDHAKNRZOJ-OAQYLSRUSA-N
XLogP3.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
N-(2-cyanopropan-2-yl)-2-methylquinoline-4-carboxamide
CID 54904478
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate (CID 95155866) is methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate is COC(=O)[C@](C)(NC(=O)c1cc(C)nc2cc(F)ccc12)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The InChIKey is CVMJFDHAKNRZOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-13-11-17(16-10-9-15(22)12-18(16)23-13)19(25)24-21(2,20(26)27-3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate has a molecular weight of 366.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 95155866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).