2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid

C15H18ClN3O3 — CID 174166411

IUPAC2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid
SMILESCN(CCNCCOc1ccc2c(Cl)ccnc2c1)C(=O)O
InChIInChI=1S/C15H18ClN3O3/c1-19(15(20)21)8-6-17-7-9-22-11-2-3-12-13(16)4-5-18-14(12)10-11/h2-5,10,17H,6-9H2,1H3,(H,20,21)
InChIKeyFGVBFGSUNKFQRL-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.47
Rot. Bonds7

About 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid

2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid (PubChem CID 174166411) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid
PubChem CID174166411
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid
SMILESCN(CCNCCOc1ccc2c(Cl)ccnc2c1)C(=O)O
InChIInChI=1S/C15H18ClN3O3/c1-19(15(20)21)8-6-17-7-9-22-11-2-3-12-13(16)4-5-18-14(12)10-11/h2-5,10,17H,6-9H2,1H3,(H,20,21)
InChIKeyFGVBFGSUNKFQRL-UHFFFAOYSA-N
XLogP2.47
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
CID 174166475
3-[2-(4-chloroquinolin-7-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-methylcarbamic acid
CID 174166465
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
4-chloro-7-hexoxyquinoline
CID 78323998
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
4-chloro-N,N-dimethylquinoline-7-carboxamide
CID 67304635
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide
CID 165399845
4-chloro-7-(1-phenylethoxy)quinoline
CID 141359583
4-(4-chloroquinolin-7-yl)oxypiperidine-1-carboxylic acid
CID 174166454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid?
The IUPAC name of 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid (CID 174166411) is 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid is CN(CCNCCOc1ccc2c(Cl)ccnc2c1)C(=O)O.
What is the InChIKey of 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid?
The InChIKey is FGVBFGSUNKFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-19(15(20)21)8-6-17-7-9-22-11-2-3-12-13(16)4-5-18-14(12)10-11/h2-5,10,17H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid?
2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid has a molecular weight of 323.78 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid is sourced from PubChem (CID 174166411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).