6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine

C19H22ClN5O3S — CID 150134294

IUPAC6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine
SMILESCNS(=O)(=O)Nc1cc(-c2ccc3nccc(N(C)CCOC)c3c2)cnc1Cl
InChIInChI=1S/C19H22ClN5O3S/c1-21-29(26,27)24-17-11-14(12-23-19(17)20)13-4-5-16-15(10-13)18(6-7-22-16)25(2)8-9-28-3/h4-7,10-12,21,24H,8-9H2,1-3H3
InChIKeyFBXJOSAZEWQKQB-UHFFFAOYSA-N
MW435.94 g/mol
LogP2.91
Rot. Bonds8

About 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine

6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine (PubChem CID 150134294) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine
PubChem CID150134294
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine
SMILESCNS(=O)(=O)Nc1cc(-c2ccc3nccc(N(C)CCOC)c3c2)cnc1Cl
InChIInChI=1S/C19H22ClN5O3S/c1-21-29(26,27)24-17-11-14(12-23-19(17)20)13-4-5-16-15(10-13)18(6-7-22-16)25(2)8-9-28-3/h4-7,10-12,21,24H,8-9H2,1-3H3
InChIKeyFBXJOSAZEWQKQB-UHFFFAOYSA-N
XLogP2.91
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine?
The IUPAC name of 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine (CID 150134294) is 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine is CNS(=O)(=O)Nc1cc(-c2ccc3nccc(N(C)CCOC)c3c2)cnc1Cl.
What is the InChIKey of 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine?
The InChIKey is FBXJOSAZEWQKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3S/c1-21-29(26,27)24-17-11-14(12-23-19(17)20)13-4-5-16-15(10-13)18(6-7-22-16)25(2)8-9-28-3/h4-7,10-12,21,24H,8-9H2,1-3H3.
What are the key properties of 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine?
6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine has a molecular weight of 435.94 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 150134294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).