tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride

C17H22ClNO3 — CID 143835035

IUPACtert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride
SMILESCOc1cnc2ccc(C(C)C(=O)OC(C)(C)C)cc2c1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-11(16(19)21-17(2,3)4)12-6-7-15-13(8-12)9-14(20-5)10-18-15;/h6-11H,1-5H3;1H
InChIKeyVHTBHUBJPGPQNZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride

tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride (PubChem CID 143835035) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride
PubChem CID143835035
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Nametert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride
SMILESCOc1cnc2ccc(C(C)C(=O)OC(C)(C)C)cc2c1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-11(16(19)21-17(2,3)4)12-6-7-15-13(8-12)9-14(20-5)10-18-15;/h6-11H,1-5H3;1H
InChIKeyVHTBHUBJPGPQNZ-UHFFFAOYSA-N
XLogP4.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 141165174
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
tert-butyl 2-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 107289984
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
ethane;[6-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]naphthalen-2-yl] 4-bromobutanoate
CID 144534481
tert-butyl 2-(4-chlorophenyl)propanoate
CID 22592402
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
1-(6-methoxyquinolin-3-yl)propane-1-sulfonic acid
CID 91873634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride?
The IUPAC name of tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride (CID 143835035) is tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride?
The canonical SMILES for tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride is COc1cnc2ccc(C(C)C(=O)OC(C)(C)C)cc2c1.Cl.
What is the InChIKey of tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride?
The InChIKey is VHTBHUBJPGPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-11(16(19)21-17(2,3)4)12-6-7-15-13(8-12)9-14(20-5)10-18-15;/h6-11H,1-5H3;1H.
What are the key properties of tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride?
tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride is sourced from PubChem (CID 143835035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).