N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

C32H29F3N6O4S — CID 144731977

IUPACN-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCCc1c(-c2cnc(N)nc2)nc2c(OC)cc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)cc2c1N1CCOCC1
InChIInChI=1S/C32H29F3N6O4S/c1-3-20-28(19-16-37-32(36)38-17-19)39-29-22(30(20)41-10-12-45-13-11-41)14-18(15-26(29)44-2)21-6-4-9-25(27(21)35)40-46(42,43)31-23(33)7-5-8-24(31)34/h4-9,14-17,40H,3,10-13H2,1-2H3,(H2,36,37,38)
InChIKeyHLFYTINLBRBULY-UHFFFAOYSA-N
MW650.68 g/mol
LogP5.57
Rot. Bonds8

About N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 144731977) has the molecular formula C32H29F3N6O4S and a molecular weight of 650.68 g/mol. Its IUPAC name is N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
PubChem CID144731977
Molecular FormulaC32H29F3N6O4S
Molecular Weight650.68 g/mol
Exact Mass650.19
IUPAC NameN-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
SMILESCCc1c(-c2cnc(N)nc2)nc2c(OC)cc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)cc2c1N1CCOCC1
InChIInChI=1S/C32H29F3N6O4S/c1-3-20-28(19-16-37-32(36)38-17-19)39-29-22(30(20)41-10-12-45-13-11-41)14-18(15-26(29)44-2)21-6-4-9-25(27(21)35)40-46(42,43)31-23(33)7-5-8-24(31)34/h4-9,14-17,40H,3,10-13H2,1-2H3,(H2,36,37,38)
InChIKeyHLFYTINLBRBULY-UHFFFAOYSA-N
XLogP5.57
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.68
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[2-(2-aminopyrimidin-4-yl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]-2,4-difluorophenyl]-2,6-difluorobenzenesulfonamide
CID 126504825
N'-[5-[6-[2-fluoro-3-(propylsulfanylamino)phenyl]-8-methoxy-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]ethane-1,2-diamine
CID 144731933
1-[4-[6-[2-fluoro-3-(propylsulfonylamino)phenyl]-8-methoxy-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 86275814
5-[8-(2-fluoroethoxy)-6-[2-fluoro-3-(3-fluoropropylsulfanylamino)phenyl]-4-morpholin-4-ylquinazolin-2-yl]pyrimidin-2-amine
CID 138479882
2,6-difluoro-N-[2-fluoro-3-[8-methoxy-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-6-yl]phenyl]benzenesulfinamide
CID 138479743
N-[2-fluoro-3-[2-(1H-indazol-4-yl)-8-methoxy-4-morpholin-4-ylquinazolin-6-yl]phenyl]propane-1-sulfonamide;N-[2-fluoro-3-[8-methoxy-4-morpholin-4-yl-2-[1-(oxan-2-yl)indazol-4-yl]quinazolin-6-yl]phenyl]propane-1-sulfonamide
CID 159116129
N-[3-[2-(2-aminopyrimidin-5-yl)-4-(3-methylmorpholin-4-yl)-8-propan-2-yloxyquinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 118916308
N-(2-fluorophenyl)-4-methoxy-3-(3-morpholin-4-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245194
N-[3-[2-(6-amino-3-pyridinyl)-8-(cyclopropylmethoxy)-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 86273188
N-[3-[4-amino-2-(6-amino-5-fluoro-3-pyridinyl)-8-methoxyquinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide;1-ethoxypropane
CID 162190120
5-[2-amino-3-(4-morpholin-4-ylphenyl)-4-oxoquinazolin-6-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67985545
N-[3-[4-amino-8-methoxy-2-[2-(methylamino)pyrimidin-5-yl]quinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677445

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide (CID 144731977) is N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is CCc1c(-c2cnc(N)nc2)nc2c(OC)cc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)cc2c1N1CCOCC1.
What is the InChIKey of N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is HLFYTINLBRBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N6O4S/c1-3-20-28(19-16-37-32(36)38-17-19)39-29-22(30(20)41-10-12-45-13-11-41)14-18(15-26(29)44-2)21-6-4-9-25(27(21)35)40-46(42,43)31-23(33)7-5-8-24(31)34/h4-9,14-17,40H,3,10-13H2,1-2H3,(H2,36,37,38).
What are the key properties of N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide?
N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 650.68 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-aminopyrimidin-5-yl)-3-ethyl-8-methoxy-4-morpholin-4-ylquinolin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 144731977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).