N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide

C21H23ClN4O3S — CID 44608755

IUPACN-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCC1(C)CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)CCO1
InChIInChI=1S/C21H23ClN4O3S/c1-21(2)13-26(8-9-29-21)19-6-7-23-17-5-4-14(10-16(17)19)15-11-18(20(22)24-12-15)25-30(3,27)28/h4-7,10-12,25H,8-9,13H2,1-3H3
InChIKeyZEYXMGMEPMUWSC-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.94
Rot. Bonds4

About N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide

N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 44608755) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID44608755
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCC1(C)CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)CCO1
InChIInChI=1S/C21H23ClN4O3S/c1-21(2)13-26(8-9-29-21)19-6-7-23-17-5-4-14(10-16(17)19)15-11-18(20(22)24-12-15)25-30(3,27)28/h4-7,10-12,25H,8-9,13H2,1-3H3
InChIKeyZEYXMGMEPMUWSC-UHFFFAOYSA-N
XLogP3.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227
N-[2-chloro-5-[4-(4-methoxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 44610158
N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 90033860
N-[2-chloro-5-[4-[2-[(dimethylamino)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-pyridinyl]methanesulfonamide
CID 57388832
N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 59859963
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
6-(2,2-dimethylmorpholin-4-yl)quinolin-5-amine
CID 43809754
N-[2-chloro-5-[4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164556421
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
N-[2-chloro-5-(3-oxo-4H-[1,4]oxazino[3,2-c]quinolin-9-yl)-3-pyridinyl]cyclopropanesulfonamide
CID 86293598
2-methyl-4-(6-propan-2-yloxyquinolin-4-yl)morpholine-2-carboxylic acid
CID 138051639

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 44608755) is N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide is CC1(C)CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)CCO1.
What is the InChIKey of N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is ZEYXMGMEPMUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-21(2)13-26(8-9-29-21)19-6-7-23-17-5-4-14(10-16(17)19)15-11-18(20(22)24-12-15)25-30(3,27)28/h4-7,10-12,25H,8-9,13H2,1-3H3.
What are the key properties of N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 446.96 g/mol, XLogP of 3.94, 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-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 44608755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).