(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

C24H20FN5O3S — CID 22458368

IUPAC(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
SMILESC/C(=C(/F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc2ncnc(N)c2c1
InChIInChI=1S/C24H20FN5O3S/c1-14(16-8-11-20-19(12-16)23(26)29-13-28-20)22(25)24(31)30-17-9-6-15(7-10-17)18-4-2-3-5-21(18)34(27,32)33/h2-13H,1H3,(H,30,31)(H2,26,28,29)(H2,27,32,33)/b22-14-
InChIKeyQONBQPBZXCABLB-HMAPJEAMSA-N
MW477.52 g/mol
LogP3.87
Rot. Bonds5

About (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide (PubChem CID 22458368) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
PubChem CID22458368
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
SMILESC/C(=C(/F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc2ncnc(N)c2c1
InChIInChI=1S/C24H20FN5O3S/c1-14(16-8-11-20-19(12-16)23(26)29-13-28-20)22(25)24(31)30-17-9-6-15(7-10-17)18-4-2-3-5-21(18)34(27,32)33/h2-13H,1H3,(H,30,31)(H2,26,28,29)(H2,27,32,33)/b22-14-
InChIKeyQONBQPBZXCABLB-HMAPJEAMSA-N
XLogP3.87
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-quinazolin-4-ylbenzenesulfonamide
CID 9267131
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 10323469
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 44304983
N-[3-(4-aminoquinazolin-6-yl)-5-fluoro-phenyl]acetamide
CID 86703925
N-[3-[4-[(3-methylphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233006
N-[3-[4-(4-fluoroanilino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3233306
N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 3235544
N-(4-((1,1'-Biphenyl)-4-ylamino)quinazolin-6-yl)acrylamide
CID 15159376
(Z)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 22458381
N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide
CID 39165458
(Z)-3-[1-(dimethylamino)isoquinolin-7-yl]-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide
CID 44304975
N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenyl]sulfamoyl]phenyl]acetamide
CID 44531516

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide?
The IUPAC name of (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide (CID 22458368) is (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide?
The canonical SMILES for (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide is C/C(=C(/F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc2ncnc(N)c2c1.
What is the InChIKey of (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide?
The InChIKey is QONBQPBZXCABLB-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-14(16-8-11-20-19(12-16)23(26)29-13-28-20)22(25)24(31)30-17-9-6-15(7-10-17)18-4-2-3-5-21(18)34(27,32)33/h2-13H,1H3,(H,30,31)(H2,26,28,29)(H2,27,32,33)/b22-14-.
What are the key properties of (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide?
(Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide has a molecular weight of 477.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-aminoquinazolin-6-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide is sourced from PubChem (CID 22458368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).