methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate

C19H16Cl2N2O2 — CID 24755559

IUPACmethyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1
InChIInChI=1S/C19H16Cl2N2O2/c1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21/h2-9,15H,10,22H2,1H3
InChIKeyAKNGOJVQCIPRMH-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.25
Rot. Bonds4

About methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate

methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate (PubChem CID 24755559) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
PubChem CID24755559
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Namemethyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate
SMILESCOC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1
InChIInChI=1S/C19H16Cl2N2O2/c1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21/h2-9,15H,10,22H2,1H3
InChIKeyAKNGOJVQCIPRMH-UHFFFAOYSA-N
XLogP4.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine
CID 10052832
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-difluorophenyl)formamido]propanoic acid
CID 10391292
2-{[1-(4-Chlorophenyl)cyclopentyl]formamido}-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 10393176
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-[(2,6-dimethylphenyl)formamido]propanoic acid
CID 10435784
3-[2-(2-Chloro-6-fluorophenyl)quinolin-6-yl]-2-[(2,6-dichlorophenyl)formamido]propanoic acid
CID 10436625
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,4-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 23647525
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-difluorophenyl)quinolin-6-yl]propanoic acid
CID 23647526
2-[(2-Chloro-6-methylphenyl)formamido]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 10436492
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-dimethylphenyl)quinolin-6-yl]propanoic acid
CID 23647527
2-[(2,6-Dichlorophenyl)formamido]-3-[2-(2,6-dichloropyridin-4-yl)quinolin-6-yl]propanoic acid
CID 23647532
2-{[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]formamido}-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid
CID 23647537
3-[2-(2,6-Dichlorophenyl)quinolin-6-yl]-2-(phenylformamido)propanoic acid
CID 23647536

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate (CID 24755559) is methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate is COC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1.
What is the InChIKey of methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
The InChIKey is AKNGOJVQCIPRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21/h2-9,15H,10,22H2,1H3.
What are the key properties of methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate?
methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate has a molecular weight of 375.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate is sourced from PubChem (CID 24755559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).