2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine

C33H32Cl2N4O3 — CID 161300805

IUPAC2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine
SMILESCCNc1ccc2cc(OCC)ccc2n1.CCOc1ccc2nc(Cl)ccc2c1.Oc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H16N2O.C11H10ClNO.C9H6ClNO/c1-3-14-13-8-5-10-9-11(16-4-2)6-7-12(10)15-13;1-2-14-9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(12)2-3-8(6)11-9/h5-9H,3-4H2,1-2H3,(H,14,15);3-7H,2H2,1H3;1-5,12H
InChIKeyVHOXFHVCJXHBEE-UHFFFAOYSA-N
MW603.55 g/mol
LogP8.95
Rot. Bonds6

About 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine

2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine (PubChem CID 161300805) has the molecular formula C33H32Cl2N4O3 and a molecular weight of 603.55 g/mol. Its IUPAC name is 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine
PubChem CID161300805
Molecular FormulaC33H32Cl2N4O3
Molecular Weight603.55 g/mol
Exact Mass602.19
IUPAC Name2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine
SMILESCCNc1ccc2cc(OCC)ccc2n1.CCOc1ccc2nc(Cl)ccc2c1.Oc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H16N2O.C11H10ClNO.C9H6ClNO/c1-3-14-13-8-5-10-9-11(16-4-2)6-7-12(10)15-13;1-2-14-9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(12)2-3-8(6)11-9/h5-9H,3-4H2,1-2H3,(H,14,15);3-7H,2H2,1H3;1-5,12H
InChIKeyVHOXFHVCJXHBEE-UHFFFAOYSA-N
XLogP8.95
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.55
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2-chloroquinolin-6-yl)oxyethyl]carbamate
CID 156619972
2-N,6-N,6-N-triethylquinoline-2,6-diamine
CID 174950109
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
N-(6-hydroxyquinolin-2-yl)-2,2-dimethylpropanamide
CID 146492851
2,6-diethoxyanthracene
CID 12651989
2-ethoxyquinazolin-6-ol
CID 162739873
2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
N-ethyl-6-(naphthalen-2-yloxymethyl)pyridin-2-amine
CID 79231800
6-ethoxy-N-ethyl-2,3-dimethylquinolin-4-amine
CID 62202534
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
2-ethylquinolin-6-ol
CID 19389936
methyl 6-ethoxy-2-methoxyquinoline-3-carboxylate
CID 119054863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine?
The IUPAC name of 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine (CID 161300805) is 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine.
What is the SMILES notation for 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine?
The canonical SMILES for 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine is CCNc1ccc2cc(OCC)ccc2n1.CCOc1ccc2nc(Cl)ccc2c1.Oc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine?
The InChIKey is VHOXFHVCJXHBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C11H10ClNO.C9H6ClNO/c1-3-14-13-8-5-10-9-11(16-4-2)6-7-12(10)15-13;1-2-14-9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(12)2-3-8(6)11-9/h5-9H,3-4H2,1-2H3,(H,14,15);3-7H,2H2,1H3;1-5,12H.
What are the key properties of 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine?
2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine has a molecular weight of 603.55 g/mol, XLogP of 8.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxyquinoline;2-chloroquinolin-6-ol;6-ethoxy-N-ethylquinolin-2-amine is sourced from PubChem (CID 161300805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).