N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide

C19H19ClN4O3S — CID 44609076

IUPACN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C19H19ClN4O3S/c1-28(25,26)23-17-11-14(12-22-19(17)20)13-2-3-16-15(10-13)18(4-5-21-16)24-6-8-27-9-7-24/h2-5,10-12,23H,6-9H2,1H3
InChIKeyLLMAGTSUGHBMKE-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.16
Rot. Bonds4

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

N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 44609076) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID44609076
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C19H19ClN4O3S/c1-28(25,26)23-17-11-14(12-22-19(17)20)13-2-3-16-15(10-13)18(4-5-21-16)24-6-8-27-9-7-24/h2-5,10-12,23H,6-9H2,1H3
InChIKeyLLMAGTSUGHBMKE-UHFFFAOYSA-N
XLogP3.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide (CID 44609076) is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is LLMAGTSUGHBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-28(25,26)23-17-11-14(12-22-19(17)20)13-2-3-16-15(10-13)18(4-5-21-16)24-6-8-27-9-7-24/h2-5,10-12,23H,6-9H2,1H3.
What are the key properties of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 418.91 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 44609076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).