4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine

C20H22ClN5O3S — CID 58229491

IUPAC4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C20H22ClN5O3S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26/h3-6,11-13,24H,7-10H2,1-2H3
InChIKeyZGIVCEPNVKBEOU-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.01
Rot. Bonds5

About 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine

4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine (PubChem CID 58229491) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine
PubChem CID58229491
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC Name4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C20H22ClN5O3S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26/h3-6,11-13,24H,7-10H2,1-2H3
InChIKeyZGIVCEPNVKBEOU-UHFFFAOYSA-N
XLogP3.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine (CID 58229491) is 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine is CN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine?
The InChIKey is ZGIVCEPNVKBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26/h3-6,11-13,24H,7-10H2,1-2H3.
What are the key properties of 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine?
4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine has a molecular weight of 447.95 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine is sourced from PubChem (CID 58229491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).