2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid

C12H11ClN2O2 — CID 84634019

IUPAC2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
SMILESNCCc1cc(C(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C12H11ClN2O2/c13-7-1-2-11-9(5-7)10(12(16)17)6-8(15-11)3-4-14/h1-2,5-6H,3-4,14H2,(H,16,17)
InChIKeyWIHLCKVUOVCKNW-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid

2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid (PubChem CID 84634019) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
PubChem CID84634019
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
SMILESNCCc1cc(C(=O)O)c2cc(Cl)ccc2n1
InChIInChI=1S/C12H11ClN2O2/c13-7-1-2-11-9(5-7)10(12(16)17)6-8(15-11)3-4-14/h1-2,5-6H,3-4,14H2,(H,16,17)
InChIKeyWIHLCKVUOVCKNW-UHFFFAOYSA-N
XLogP2.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
2-(5-amino-2-pyridinyl)-6-chloroquinoline-4-carboxylic acid;ethane
CID 145387367
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
CID 84638076
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
2-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-6-chloroquinoline-4-carboxylic acid
CID 169367984
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid (CID 84634019) is 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid is NCCc1cc(C(=O)O)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid?
The InChIKey is WIHLCKVUOVCKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-7-1-2-11-9(5-7)10(12(16)17)6-8(15-11)3-4-14/h1-2,5-6H,3-4,14H2,(H,16,17).
What are the key properties of 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid?
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid is sourced from PubChem (CID 84634019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).