N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide

C26H19ClFN5O3S — CID 121416175

IUPACN-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCOc1ccc(Nc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5cccc(F)c5)c4)cc23)cc1Cl
InChIInChI=1S/C26H19ClFN5O3S/c1-36-25-8-6-19(12-23(25)27)32-26-22-10-16(5-7-24(22)30-15-31-26)17-9-20(14-29-13-17)33-37(34,35)21-4-2-3-18(28)11-21/h2-15,33H,1H3,(H,30,31,32)
InChIKeyVQAPDUJYQVRMNQ-UHFFFAOYSA-N
MW535.99 g/mol
LogP6.04
Rot. Bonds7

About N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide

N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide (PubChem CID 121416175) has the molecular formula C26H19ClFN5O3S and a molecular weight of 535.99 g/mol. Its IUPAC name is N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
PubChem CID121416175
Molecular FormulaC26H19ClFN5O3S
Molecular Weight535.99 g/mol
Exact Mass535.09
IUPAC NameN-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCOc1ccc(Nc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5cccc(F)c5)c4)cc23)cc1Cl
InChIInChI=1S/C26H19ClFN5O3S/c1-36-25-8-6-19(12-23(25)27)32-26-22-10-16(5-7-24(22)30-15-31-26)17-9-20(14-29-13-17)33-37(34,35)21-4-2-3-18(28)11-21/h2-15,33H,1H3,(H,30,31,32)
InChIKeyVQAPDUJYQVRMNQ-UHFFFAOYSA-N
XLogP6.04
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.99
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide with MolForge

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Related Compounds

GW583340
CID 16219404
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 5329480
N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329492
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2-chloro-4-fluorobenzenesulfonamide
CID 135197583
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 135197644
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N2-(3-chloro-4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826930
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71662243
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-piperidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662244
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-piperidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662245
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662406

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide (CID 121416175) is N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide is COc1ccc(Nc2ncnc3ccc(-c4cncc(NS(=O)(=O)c5cccc(F)c5)c4)cc23)cc1Cl.
What is the InChIKey of N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The InChIKey is VQAPDUJYQVRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O3S/c1-36-25-8-6-19(12-23(25)27)32-26-22-10-16(5-7-24(22)30-15-31-26)17-9-20(14-29-13-17)33-37(34,35)21-4-2-3-18(28)11-21/h2-15,33H,1H3,(H,30,31,32).
What are the key properties of N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide has a molecular weight of 535.99 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-chloro-4-methoxyanilino)quinazolin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 121416175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).