3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid

C15H17ClN2O2 — CID 122120288

IUPAC3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)Cc1c(Cl)ccc2cccnc12)C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-10(15(19)20)8-18(2)9-12-13(16)6-5-11-4-3-7-17-14(11)12/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyANNRXOUEFBRWEC-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.04
Rot. Bonds5

About 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid

3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 122120288) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID122120288
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)Cc1c(Cl)ccc2cccnc12)C(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-10(15(19)20)8-18(2)9-12-13(16)6-5-11-4-3-7-17-14(11)12/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyANNRXOUEFBRWEC-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
2-[(7-chloroquinolin-8-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 51119571
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
CID 55754155
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
3-[[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122046928

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid (CID 122120288) is 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid is CC(CN(C)Cc1c(Cl)ccc2cccnc12)C(=O)O.
What is the InChIKey of 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is ANNRXOUEFBRWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(15(19)20)8-18(2)9-12-13(16)6-5-11-4-3-7-17-14(11)12/h3-7,10H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid?
3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-8-yl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122120288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).