methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate

C12H11ClN2O2 — CID 84634022

IUPACmethyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
SMILESCNc1cc(C(=O)OC)c2ccc(Cl)cc2n1
InChIInChI=1S/C12H11ClN2O2/c1-14-11-6-9(12(16)17-2)8-4-3-7(13)5-10(8)15-11/h3-6H,1-2H3,(H,14,15)
InChIKeyQYOVFFOBNFHHBC-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.72
Rot. Bonds2

About methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate

methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate (PubChem CID 84634022) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
PubChem CID84634022
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Namemethyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
SMILESCNc1cc(C(=O)OC)c2ccc(Cl)cc2n1
InChIInChI=1S/C12H11ClN2O2/c1-14-11-6-9(12(16)17-2)8-4-3-7(13)5-10(8)15-11/h3-6H,1-2H3,(H,14,15)
InChIKeyQYOVFFOBNFHHBC-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
methyl 7-chlorophenanthrene-9-carboxylate
CID 10730795
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate?
The IUPAC name of methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate (CID 84634022) is methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate?
The canonical SMILES for methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate is CNc1cc(C(=O)OC)c2ccc(Cl)cc2n1.
What is the InChIKey of methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate?
The InChIKey is QYOVFFOBNFHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-14-11-6-9(12(16)17-2)8-4-3-7(13)5-10(8)15-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate?
methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate has a molecular weight of 250.69 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate is sourced from PubChem (CID 84634022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).