N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide

C19H19Cl2N5O3S — CID 59406582

IUPACN-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cl)c1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-2-30(27,28)26(21)17-10-14(11-22-18(17)20)13-3-4-16-15(9-13)19(24-12-23-16)25-5-7-29-8-6-25/h3-4,9-12H,2,5-8H2,1H3
InChIKeyGIDODYSUFPMODK-UHFFFAOYSA-N
MW468.37 g/mol
LogP3.49
Rot. Bonds5

About N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide

N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 59406582) has the molecular formula C19H19Cl2N5O3S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID59406582
Molecular FormulaC19H19Cl2N5O3S
Molecular Weight468.37 g/mol
Exact Mass467.06
IUPAC NameN-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cl)c1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-2-30(27,28)26(21)17-10-14(11-22-18(17)20)13-3-4-16-15(9-13)19(24-12-23-16)25-5-7-29-8-6-25/h3-4,9-12H,2,5-8H2,1H3
InChIKeyGIDODYSUFPMODK-UHFFFAOYSA-N
XLogP3.49
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 68723909
N-[5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]propane-2-sulfinamide
CID 59406583
1-[5-(4-morpholin-4-ylquinazolin-6-yl)furan-2-yl]ethanol
CID 46916200
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
CID 118364925
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
(4-morpholin-4-ylquinazolin-6-yl)boronic acid
CID 141302023
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
CID 68942535
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide (CID 59406582) is N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)N(Cl)c1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is GIDODYSUFPMODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3S/c1-2-30(27,28)26(21)17-10-14(11-22-18(17)20)13-3-4-16-15(9-13)19(24-12-23-16)25-5-7-29-8-6-25/h3-4,9-12H,2,5-8H2,1H3.
What are the key properties of N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide?
N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 468.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 59406582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).